Piperanine
PubChem CID: 5320618
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| Compound Synonyms | Piperanine, 23512-46-1, Piperanin, 4,5-Dihydroxypiperine, (E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpent-2-en-1-one, Da,b-Dihydropiperine, b-Hydropiperylpiperidine, Dalpha,Beta-Dihydropiperine, Piperidine, 1-(5-(1,3-benzodioxol-5-yl)-1-oxo-2-pentenyl)-, (E)-, NSC-125180, (E)-5-(benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)pent-2-en-1-one, Piperidine, 1-[(2E)-5-(1,3-benzodioxol-5-yl)-1-oxo-2-pentenyl]-, Piperidine, 1-[5-[3,4-(methylenedioxy)phenyl]-2-pentenoyl]-, (E)-, 2-Penten-1-one, 5-(1,3-benzodioxol-5-yl)-1-(1-piperidinyl)-, (2E)-, 5-(3,4-Methylenedioxyphenyl)-2-pentenoic acid piperidide, 1-[5-(1,3-Benzodioxol-5-yl)-1-oxo-2-pentenyl]piperidine, Piperidine, 1-[5-(1,3-benzodioxol-5-yl)-1-oxo-2-pentenyl]-, (E)-, (2E)-5-(2H-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)pent-2-en-1-one, 1-(5-(1,3-Benzodioxol-5-yl)-1-oxo-2-pentenyl)piperidine, Dalpha, Delata-Alpha, Delata-a, b-Dihydropiperine, (E)-5-(benzo(d)(1,3)dioxol-5-yl)-1-(piperidin-1-yl)pent-2-en-1-one, Piperidine, 1-((2E)-5-(1,3-benzodioxol-5-yl)-1-oxo-2-pentenyl)-, Piperidine, 1-(5-(3,4-(methylenedioxy)phenyl)-2-pentenoyl)-, (E)-, Beta-Dihydropiperine, Delata-I+-, NSC125180, GZC2LZ46CZ, 65937-41-9, MLS002473216, CHEMBL256218, MEGxp0_000204, SCHEMBL15159492, SCHEMBL23728300, ACon1_000146, Delata-Alpha,Beta-Dihydropiperine, CHEBI:167837, HMS2270O08, BDBM50415870, HY-N12118, AKOS030555239, Piperanine, >=95% (LC/MS-ELSD), NCGC00180838-01, DA-66738, SMR001397304, CS-0891869, NS00097265, G88970, BRD-K72444591-001-01-1, 5-(1,3-Benzodioxol-5-yl)-1-(1-piperidinyl)-2-penten-1-one, trans-5-(3,4-methylenedioxyphenyl)-2-pentenoic acid piperidide, (2E)-5-(1,3-Benzodioxol-5-yl)-1-(1-piperidinyl)-2-penten-1-one, 2-Penten-1-one, 5-(1,3-benzodioxol-5-yl)-1-(1-piperidinyl)- |
|---|---|
| Topological Polar Surface Area | 38.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Description | Isolated from pepper. Piperanine is found in herbs and spices and pepper (spice). |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 376.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q8NER1, Q96QE3, Q13148 |
| Iupac Name | (E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpent-2-en-1-one |
| Prediction Hob | 1.0 |
| Class | Benzodioxoles |
| Target Id | NPT472 |
| Xlogp | 3.1 |
| Superclass | Organoheterocyclic compounds |
| Molecular Formula | C17H21NO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | QHWOFMXDKFORMO-XVNBXDOJSA-N |
| Fcsp3 | 0.4705882352941176 |
| Logs | -4.294 |
| Rotatable Bond Count | 4.0 |
| State | Solid |
| Logd | 2.931 |
| Synonyms | 1-[5-(1,3-Benzodioxol-5-yl)-1-oxo-2-pentenyl]piperidine, 5-(3,4-Methylenedioxyphenyl)-2-pentenoic acid piperidide, b-Dihydropiperine, b-Hydropiperylpiperidine, beta-Dihydropiperine, Da,b-Dihydropiperine, Delata-a, Delata-alpha, Delata-α, Piperanine, β-dihydropiperine, Delata-Alpha, Beta-Dihydropiperine, Dalpha, Da,b-dihydropiperine |
| Compound Name | Piperanine |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 287.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 287.152 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 287.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Esol | -3.651354371428572 |
| Inchi | InChI=1S/C17H21NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h3,7-9,12H,1-2,4-6,10-11,13H2/b7-3+ |
| Smiles | C1CCN(CC1)C(=O)/C=C/CCC2=CC3=C(C=C2)OCO3 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | Benzodioxoles |
- 1. Outgoing r'ship
FOUND_INto/from Abies Webbiana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Brickellia Longifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Bupleurum Rigidum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Carpesium Longifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Cochlearia Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Coelogyne Nitida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Crocus Corsicus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Dichotomanthes Tristaniicarpa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Dracontium Loretense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Euphorbia Wangii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Frullania Brasiliensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Homalium Laurifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Matsumurella Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Palisota Barteri (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Pinus Koraiensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 16. Outgoing r'ship
FOUND_INto/from Piper Longum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 17. Outgoing r'ship
FOUND_INto/from Piper Nigrum (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 18. Outgoing r'ship
FOUND_INto/from Piper Retrofractum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 19. Outgoing r'ship
FOUND_INto/from Piper Tuberculatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 20. Outgoing r'ship
FOUND_INto/from Podocarpus Minor (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 21. Outgoing r'ship
FOUND_INto/from Schefflera Venulosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 22. Outgoing r'ship
FOUND_INto/from Silene Banksia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 23. Outgoing r'ship
FOUND_INto/from Verbesina Virginica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all