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Piperidine

PubChem CID: 8082

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Compound Synonyms PIPERIDINE, 110-89-4, Hexahydropyridine, Cyclopentimine, Azacyclohexane, Piperidin, Cypentil, Hexazane, Pentamethyleneimine, Pentamethylenimine, Perhydropyridine, Pyridine, hexahydro-, Pentamethyleneamine, azinane, FEMA No. 2908, CCRIS 967, piperdine, HSDB 114, EINECS 203-813-0, DTXSID6021165, UNII-67I85E138Y, CHEBI:18049, AI3-24114, Piperidine, homopolymer, MFCD00005979, 67I85E138Y, CHEMBL15487, DTXCID101165, PIP, EC 203-813-0, Piperidin [German], 89014-30-2, Piperidine, puriss. p.a., >=99.0% (GC/T), UN2401, piperadine, pyperidine, N-piperidine, Piperidine [UN2401] [Corrosive], Piperidine, 99%, PENTAMETHSENEIMINE, Hexazane, Azacyclohexane, PIPERIDINE [MI], PIPERIDINE [FCC], PIPERIDINE [FHFI], PIPERIDINE [HSDB], TOLPERISONE_met028, Piperidine on Rasta Resin, NCIMech_000312, Piperidine (Peptide Grade), NCIOpen2_007828, PIPERIDINE [WHO-DD], Piperidine, >=99%, FG, Piperidine, >=99%, FCC, Piperidine, analytical standard, GTPL5477, FEMA 2908, Piperidine (Peptide Grade), 99%, Piperidine, ReagentPlus(R), 99%, STR00031, Tox21_201175, BDBM50026449, Piperidine [UN2401] [Corrosive], AKOS002309795, UN 2401, Piperidine, biotech. grade, >=99.5%, NCGC00248946-01, NCGC00258727-01, CAS-110-89-4, Piperidine, purum, >=96.0% (GC/T), Piperidine, SAJ first grade, >=99.0%, DB-188863, NS00009032, P0453, Piperidine, puriss. plus, >=99.5% (GC), C01746, P-6865, Piperidine, >=99.5%, purified by redistillation, Q410234, InChI=1/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H, 203-813-0, 52167-54-1, StratoSpheres(TM) PL-PIP (Piperidine) resin, 50-100 mesh, extent of labeling: 3.0-4.0 mmol/g loading, 1 % cross-linked
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 12.0
Hydrogen Bond Donor Count 1.0
Pfizer 3 75 Rule False
Scaffold Graph Level C1CCCCC1
Np Classifier Class Piperidine alkaloids
Deep Smiles CCCCNC6
Heavy Atom Count 6.0
Classyfire Class Piperidines
Description Present in black pepper (Piper nigrum). Flavouring agent Piperidine (Azinane after the Hantzsch?Widman nomenclature) is an organic compound with the molecular formula (CH2)5NH. This heterocyclic amine consists of a six-membered ring containing five methylene units and one nitrogen atom. It is a colorless fuming liquid with an odor described as ammoniacal, pepper-like, the name comes from the genus name Piper, which is the Latin word for pepper. Piperidine is a widely used building block and chemical reagent in the synthesis of organic compounds, including pharmaceuticals., Piperidine is a widely used secondary amine. It is widely used to convert ketones to enamines. Enamines derived from piperidine can be used in the Stork enamine alkylation reaction., Piperidine is used as a solvent and as a base. The same is true for certain derivatives: N-formylpiperidine is a polar aprotic solvent with better hydrocarbon solubility than other amide solvents, and 2,2,6,6-tetramethylpiperidine is highly sterically hindered base, useful because of its low nucleophilicity and high solubility in organic solvents. Piperidine is found in many foods, some of which are pepper (c. annuum), red bell pepper, herbs and spices, and soy bean.
Scaffold Graph Node Level C1CCNCC1
Isotope Atom Count 0.0
Molecular Complexity 30.9
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P24557, Q05941, Q7Z2H8
Iupac Name piperidine
Prediction Hob 1.0
Class Piperidines
Veber Rule True
Classyfire Superclass Organoheterocyclic compounds
Target Id NPT1006
Xlogp 0.8
Superclass Organoheterocyclic compounds
Gsk 4 400 Rule True
Molecular Formula C5H11N
Scaffold Graph Node Bond Level C1CCNCC1
Prediction Swissadme 0.0
Inchi Key NQRYJNQNLNOLGT-UHFFFAOYSA-N
Silicos It Class Soluble
Fcsp3 1.0
Logs 0.643
Rotatable Bond Count 0.0
State Liquid
Logd -0.012
Synonyms Azacyclohexane, Azinane, Cyclopentimine, Cypentil, FEMA 2908, hexahydro-Pyridine, Hexahydropyridine, Hexazane, Pentamethyleneamine, Pentamethyleneimine, Pentamethylenimine, Perhydropyridine, PIP, Piperidin, Piperidine [UN2401] [Corrosive], Piperidine on rasta resin, Pyridine, hexahydro-, pip, Piperidine ON rasta resin, hexahydropyridine, piperidine
Substituent Name Piperidine, Azacycle, Secondary amine, Secondary aliphatic amine, Hydrocarbon derivative, Organonitrogen compound, Amine, Aliphatic heteromonocyclic compound
Esol Class Very soluble
Functional Groups CNC
Compound Name Piperidine
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 85.0891
Formal Charge 0.0
Monoisotopic Mass 85.0891
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 85.15
Gi Absorption False
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aliphatic heteromonocyclic compounds
Lipinski Rule Of 5 True
Esol -0.89713
Inchi InChI=1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2
Smiles C1CCNCC1
Nring 1.0
Np Classifier Biosynthetic Pathway Alkaloids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Taxonomy Direct Parent Piperidines
Np Classifier Superclass Lysine alkaloids

  • 1. Outgoing r'ship FOUND_IN to/from Adansonia Digitata (Plant) Rel Props:Reference:https://doi.org/10.1016/j.lwt.2018.03.014
  • 2. Outgoing r'ship FOUND_IN to/from Apium Graveolens (Plant) Rel Props:Source_db:fooddb_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Arisarum Vulgare (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Avena Sativa (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Canarium Vulgare (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Cannabis Sativa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Capsicum Annum (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Capsicum Annuum (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Capsicum Baccatum (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Capsicum Festigiatum (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Capsicum Frutescens (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Capsicum Minimum (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Capsicum Tetragonum (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Castanea Sativa (Plant) Rel Props:Reference:
  • 15. Outgoing r'ship FOUND_IN to/from Clinopodium Vulgare (Plant) Rel Props:Reference:
  • 16. Outgoing r'ship FOUND_IN to/from Daucus Carota (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Dioscorea Sativa (Plant) Rel Props:Reference:
  • 18. Outgoing r'ship FOUND_IN to/from Echium Vulgare (Plant) Rel Props:Reference:
  • 19. Outgoing r'ship FOUND_IN to/from Eruca Sativa (Plant) Rel Props:Reference:
  • 20. Outgoing r'ship FOUND_IN to/from Eruca Vesicaria (Plant) Rel Props:Reference:
  • 21. Outgoing r'ship FOUND_IN to/from Foeniculum Vulgare (Plant) Rel Props:Reference:
  • 22. Outgoing r'ship FOUND_IN to/from Glycine Max (Plant) Rel Props:Source_db:fooddb_chem_all
  • 23. Outgoing r'ship FOUND_IN to/from Haloxylon Salicornicum (Plant) Rel Props:Reference:ISBN:9788172360481
  • 24. Outgoing r'ship FOUND_IN to/from Hordeum Bulbosum (Plant) Rel Props:Reference:
  • 25. Outgoing r'ship FOUND_IN to/from Hordeum Vulgare (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all
  • 26. Outgoing r'ship FOUND_IN to/from Lactuca Sativa (Plant) Rel Props:Reference:
  • 27. Outgoing r'ship FOUND_IN to/from Laurus Nobilis (Plant) Rel Props:Source_db:fooddb_chem_all
  • 28. Outgoing r'ship FOUND_IN to/from Leucanthemum Vulgare (Plant) Rel Props:Reference:
  • 29. Outgoing r'ship FOUND_IN to/from Ligustrum Vulgare (Plant) Rel Props:Reference:
  • 30. Outgoing r'ship FOUND_IN to/from Marrubium Vulgare (Plant) Rel Props:Reference:
  • 31. Outgoing r'ship FOUND_IN to/from Medicago Sativa (Plant) Rel Props:Reference:
  • 32. Outgoing r'ship FOUND_IN to/from Nicotiana Tabacum (Plant) Rel Props:Reference:ISBN:9788172361150
  • 33. Outgoing r'ship FOUND_IN to/from Nigella Sativa (Plant) Rel Props:Reference:
  • 34. Outgoing r'ship FOUND_IN to/from Origanum Vulgare (Plant) Rel Props:Reference:
  • 35. Outgoing r'ship FOUND_IN to/from Oryza Sativa (Plant) Rel Props:Reference:
  • 36. Outgoing r'ship FOUND_IN to/from Pandanus Odorifer (Plant) Rel Props:Reference:ISBN:9788190595216
  • 37. Outgoing r'ship FOUND_IN to/from Pastinaca Sativa (Plant) Rel Props:Reference:
  • 38. Outgoing r'ship FOUND_IN to/from Piper Acutifolium (Plant) Rel Props:Reference:
  • 39. Outgoing r'ship FOUND_IN to/from Piper Aduncum (Plant) Rel Props:Reference:
  • 40. Outgoing r'ship FOUND_IN to/from Piper Aequale (Plant) Rel Props:Reference:
  • 41. Outgoing r'ship FOUND_IN to/from Piper Angustifolium (Plant) Rel Props:Reference:
  • 42. Outgoing r'ship FOUND_IN to/from Piper Arboreum (Plant) Rel Props:Reference:
  • 43. Outgoing r'ship FOUND_IN to/from Piper Argyrophyllum (Plant) Rel Props:Reference:
  • 44. Outgoing r'ship FOUND_IN to/from Piper Attenuatum (Plant) Rel Props:Reference:
  • 45. Outgoing r'ship FOUND_IN to/from Piper Baccatum (Plant) Rel Props:Reference:
  • 46. Outgoing r'ship FOUND_IN to/from Piper Bachystachyum (Plant) Rel Props:Reference:
  • 47. Outgoing r'ship FOUND_IN to/from Piper Banksii (Plant) Rel Props:Reference:
  • 48. Outgoing r'ship FOUND_IN to/from Piper Bantamense (Plant) Rel Props:Reference:
  • 49. Outgoing r'ship FOUND_IN to/from Piper Barberi (Plant) Rel Props:Reference:
  • 50. Outgoing r'ship FOUND_IN to/from Piper Bavinum (Plant) Rel Props:Reference:
  • 51. Outgoing r'ship FOUND_IN to/from Piper Betel (Plant) Rel Props:Reference:
  • 52. Outgoing r'ship FOUND_IN to/from Piper Betle (Plant) Rel Props:Reference:
  • 53. Outgoing r'ship FOUND_IN to/from Piper Betleoides (Plant) Rel Props:Reference:
  • 54. Outgoing r'ship FOUND_IN to/from Piper Boehmeriaefolium (Plant) Rel Props:Reference:
  • 55. Outgoing r'ship FOUND_IN to/from Piper Brachystachyum (Plant) Rel Props:Reference:
  • 56. Outgoing r'ship FOUND_IN to/from Piper Callosum (Plant) Rel Props:Reference:
  • 57. Outgoing r'ship FOUND_IN to/from Piper Caninum (Plant) Rel Props:Reference:
  • 58. Outgoing r'ship FOUND_IN to/from Piper Chaba (Plant) Rel Props:Reference:
  • 59. Outgoing r'ship FOUND_IN to/from Piper Crassinervium (Plant) Rel Props:Reference:
  • 60. Outgoing r'ship FOUND_IN to/from Piper Cubeba (Plant) Rel Props:Reference:ISBN:9788171360536
  • 61. Outgoing r'ship FOUND_IN to/from Piper Diffusum (Plant) Rel Props:Reference:
  • 62. Outgoing r'ship FOUND_IN to/from Piper Dilatatum (Plant) Rel Props:Reference:
  • 63. Outgoing r'ship FOUND_IN to/from Piper Divaricatum (Plant) Rel Props:Reference:
  • 64. Outgoing r'ship FOUND_IN to/from Piper Elongatum (Plant) Rel Props:Reference:
  • 65. Outgoing r'ship FOUND_IN to/from Piper Futokadsura (Plant) Rel Props:Reference:
  • 66. Outgoing r'ship FOUND_IN to/from Piper Griffthii (Plant) Rel Props:Reference:
  • 67. Outgoing r'ship FOUND_IN to/from Piper Guineense (Plant) Rel Props:Reference:
  • 68. Outgoing r'ship FOUND_IN to/from Piper Hamiltonii (Plant) Rel Props:Reference:
  • 69. Outgoing r'ship FOUND_IN to/from Piper Hancei (Plant) Rel Props:Reference:
  • 70. Outgoing r'ship FOUND_IN to/from Piper Hispidum (Plant) Rel Props:Reference:
  • 71. Outgoing r'ship FOUND_IN to/from Piper Hookeri (Plant) Rel Props:Reference:
  • 72. Outgoing r'ship FOUND_IN to/from Piper Hostmannianum (Plant) Rel Props:Reference:
  • 73. Outgoing r'ship FOUND_IN to/from Piper Kadsura (Plant) Rel Props:Reference:
  • 74. Outgoing r'ship FOUND_IN to/from Piper Lanceifolium (Plant) Rel Props:Reference:
  • 75. Outgoing r'ship FOUND_IN to/from Piper Longum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 76. Outgoing r'ship FOUND_IN to/from Piper Marginatum (Plant) Rel Props:Reference:
  • 77. Outgoing r'ship FOUND_IN to/from Piper Methysticum (Plant) Rel Props:Reference:
  • 78. Outgoing r'ship FOUND_IN to/from Piper Mullesua (Plant) Rel Props:Reference:
  • 79. Outgoing r'ship FOUND_IN to/from Piper Nepalens (Plant) Rel Props:Reference:
  • 80. Outgoing r'ship FOUND_IN to/from Piper Nigrum (Plant) Rel Props:Source_db:fooddb_chem_all
  • 81. Outgoing r'ship FOUND_IN to/from Piper Officinarum (Plant) Rel Props:Reference:
  • 82. Outgoing r'ship FOUND_IN to/from Piper Pedicellatum (Plant) Rel Props:Reference:
  • 83. Outgoing r'ship FOUND_IN to/from Piper Pedicellosum (Plant) Rel Props:Reference:
  • 84. Outgoing r'ship FOUND_IN to/from Piper Peepuloides (Plant) Rel Props:Reference:
  • 85. Outgoing r'ship FOUND_IN to/from Piper Polysyphorum (Plant) Rel Props:Reference:
  • 86. Outgoing r'ship FOUND_IN to/from Piper Puberulum (Plant) Rel Props:Reference:
  • 87. Outgoing r'ship FOUND_IN to/from Piper Regnellii (Plant) Rel Props:Reference:
  • 88. Outgoing r'ship FOUND_IN to/from Piper Retrofractum (Plant) Rel Props:Reference:
  • 89. Outgoing r'ship FOUND_IN to/from Piper Sanctum (Plant) Rel Props:Reference:
  • 90. Outgoing r'ship FOUND_IN to/from Piper Sarmentosum (Plant) Rel Props:Reference:
  • 91. Outgoing r'ship FOUND_IN to/from Piper Schmidtii (Plant) Rel Props:Reference:
  • 92. Outgoing r'ship FOUND_IN to/from Piper Spp (Plant) Rel Props:Reference:
  • 93. Outgoing r'ship FOUND_IN to/from Piper Sulvaticum (Plant) Rel Props:Reference:
  • 94. Outgoing r'ship FOUND_IN to/from Piper Sylvaticum (Plant) Rel Props:Reference:
  • 95. Outgoing r'ship FOUND_IN to/from Piper Taboganum (Plant) Rel Props:Reference:
  • 96. Outgoing r'ship FOUND_IN to/from Piper Taiwanense (Plant) Rel Props:Reference:
  • 97. Outgoing r'ship FOUND_IN to/from Piper Thomsonii (Plant) Rel Props:Reference:
  • 98. Outgoing r'ship FOUND_IN to/from Piper Trichostachyon (Plant) Rel Props:Reference:
  • 99. Outgoing r'ship FOUND_IN to/from Piper Trioicum (Plant) Rel Props:Reference:
  • 100. Outgoing r'ship FOUND_IN to/from Piper Tuberculatum (Plant) Rel Props:Reference:
  • 101. Outgoing r'ship FOUND_IN to/from Piper Umbellatum (Plant) Rel Props:Reference:
  • 102. Outgoing r'ship FOUND_IN to/from Piper Wallichii (Plant) Rel Props:Reference:
  • 103. Outgoing r'ship FOUND_IN to/from Piper Wightii (Plant) Rel Props:Reference:
  • 104. Outgoing r'ship FOUND_IN to/from Polypodium Vulgare (Plant) Rel Props:Reference:
  • 105. Outgoing r'ship FOUND_IN to/from Sorghum Vulgare (Plant) Rel Props:Reference:
  • 106. Outgoing r'ship FOUND_IN to/from Tanacetum Vulgare (Plant) Rel Props:Reference:
  • 107. Outgoing r'ship FOUND_IN to/from Tripolium Vulgare (Plant) Rel Props:Reference:
  • 108. Outgoing r'ship FOUND_IN to/from Triticum Vulgare (Plant) Rel Props:Reference:
  • 109. Outgoing r'ship FOUND_IN to/from Vicia Sativa (Plant) Rel Props:Reference:
  • 110. Outgoing r'ship FOUND_IN to/from Ziziphus Sativa (Plant) Rel Props:Reference:
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