(-)-Coniine
PubChem CID: 638021
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| Compound Synonyms | (-)-Coniine, (2R)-2-propylpiperidine, (R)-2-Propylpiperidine, 5985-99-9, (R)-(-)-Coniine, Piperidine, 2-propyl-, (2R)-, Coniine, (-)-, (-)-2-Propylpiperidine, QKK1SI92BR, CONIINE, UNII-QKK1SI92BR, (R)-coniine, (2R)-Propylpiperidin, SpecPlus_000536, Spectrum2_001966, Spectrum3_001784, BSPBio_003307, DivK1c_006632, SPBio_002091, SCHEMBL13596004, KBio1_001576, KBio3_002809, CHEBI:230480, DTXSID301019378, CCG-39504, SDCCGMLS-0066821.P001, NCGC00178150-01, DB-310273, Q27287308 |
|---|---|
| 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 | Acetate-derived alkaloids, Piperidine alkaloids |
| Deep Smiles | CCC[C@@H]CCCCN6 |
| Heavy Atom Count | 9.0 |
| Scaffold Graph Node Level | C1CCNCC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 71.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2R)-2-propylpiperidine |
| Veber Rule | True |
| Classyfire Superclass | Alkaloids and derivatives |
| Xlogp | 2.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H17N |
| Scaffold Graph Node Bond Level | C1CCNCC1 |
| Inchi Key | NDNUANOUGZGEPO-MRVPVSSYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | coniine |
| Esol Class | Very soluble |
| Functional Groups | CNC |
| Compound Name | (-)-Coniine |
| Exact Mass | 127.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 127.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 127.23 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C8H17N/c1-2-5-8-6-3-4-7-9-8/h8-9H,2-7H2,1H3/t8-/m1/s1 |
| Smiles | CCC[C@@H]1CCCCN1 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Lysine alkaloids, Pseudoalkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Conium Maculatum (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279 - 2. Outgoing r'ship
FOUND_INto/from Pimpinella Acuminata (Plant) Rel Props:Reference:ISBN:9788185042114