(2S,3S,6R)-6-(11-hydroxydodecyl)-2-methylpiperidin-3-ol
PubChem CID: 10447484
Connections displayed (default: 10).
Loading graph...
| Ghose Rule | True |
|---|---|
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 52.5 |
| Hydrogen Bond Donor Count | 3.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Piperidine alkaloids |
| Deep Smiles | CCCCCCCCCCCC[C@@H]CC[C@@H][C@@H]N6)C))O)))))))))))))))O |
| Heavy Atom Count | 21.0 |
| Scaffold Graph Node Level | C1CCNCC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 247.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (2S,3S,6R)-6-(11-hydroxydodecyl)-2-methylpiperidin-3-ol |
| Veber Rule | False |
| Classyfire Superclass | Alkaloids and derivatives |
| Xlogp | 4.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C18H37NO2 |
| Scaffold Graph Node Bond Level | C1CCNCC1 |
| Inchi Key | LWYXLXAMDLNBFQ-FBVQUNGASA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 11.0 |
| Synonyms | canavalin |
| Esol Class | Soluble |
| Functional Groups | CNC, CO |
| Compound Name | (2S,3S,6R)-6-(11-hydroxydodecyl)-2-methylpiperidin-3-ol |
| Exact Mass | 299.282 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 299.282 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 299.5 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C18H37NO2/c1-15(20)11-9-7-5-3-4-6-8-10-12-17-13-14-18(21)16(2)19-17/h15-21H,3-14H2,1-2H3/t15?,16-,17+,18-/m0/s1 |
| Smiles | C[C@H]1[C@H](CC[C@H](N1)CCCCCCCCCCC(C)O)O |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Lysine alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Canavalia Ensiformis (Plant) Rel Props:Reference:ISBN:9788172361266