2-Methyl-6-(2-hydroxypropyl)piperidine
PubChem CID: 427150
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| Compound Synonyms | 2-methyl-6-(2-hydroxypropyl)piperidine |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 32.299 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Acetate-derived alkaloids, Piperidine alkaloids |
| Deep Smiles | CCCCCCCCN6)C)))))))O |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Piperidines |
| Scaffold Graph Node Level | C1CCNCC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 116.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(6-methylpiperidin-2-yl)propan-2-ol |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 1.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H19NO |
| Scaffold Graph Node Bond Level | C1CCNCC1 |
| Inchi Key | DVJHWTLBEYCZJZ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | (2r,2r,6r)-form-2-(2-hydroxypropyl)-6-methylpiperidine |
| Esol Class | Very soluble |
| Functional Groups | CNC, CO |
| Compound Name | 2-Methyl-6-(2-hydroxypropyl)piperidine |
| Exact Mass | 157.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 157.147 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 157.25 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C9H19NO/c1-7-4-3-5-9(10-7)6-8(2)11/h7-11H,3-6H2,1-2H3 |
| Smiles | CC1CCCC(N1)CC(C)O |
| 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 Picea Abies (Plant) Rel Props:Reference:https://doi.org/10.2174/0929867033456729