(2R)-1-[(2S,6R)-6-[(2S)-2-hydroxypentyl]piperidin-2-yl]pentan-2-ol
PubChem CID: 11021533
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| 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 | CCC[C@H]C[C@@H]CCC[C@@H]N6)C[C@H]CCC)))O)))))))))O |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Piperidines |
| Scaffold Graph Node Level | C1CCNCC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 191.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (2R)-1-[(2S,6R)-6-[(2S)-2-hydroxypentyl]piperidin-2-yl]pentan-2-ol |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H31NO2 |
| Scaffold Graph Node Bond Level | C1CCNCC1 |
| Inchi Key | YASYAQIAFYRYBX-PYHGIMPFSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 8.0 |
| Synonyms | andrachamine |
| Esol Class | Soluble |
| Functional Groups | CNC, CO |
| Compound Name | (2R)-1-[(2S,6R)-6-[(2S)-2-hydroxypentyl]piperidin-2-yl]pentan-2-ol |
| Exact Mass | 257.235 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 257.235 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 257.41 |
| 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/C15H31NO2/c1-3-6-14(17)10-12-8-5-9-13(16-12)11-15(18)7-4-2/h12-18H,3-11H2,1-2H3/t12-,13+,14+,15- |
| Smiles | CCC[C@H](C[C@@H]1CCC[C@@H](N1)C[C@H](CCC)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 Achyranthes Aspera (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/10869196