1-(Piperidin-2-yl)propan-1-ol
PubChem CID: 10314
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| Compound Synonyms | 1-(piperidin-2-yl)propan-1-ol, CONHYDRINE, 63401-12-7, 1-piperidin-2-ylpropan-1-ol, 495-20-5, DTXSID60871697, Conhydrin, SCHEMBL1932043, 2-(1-hydroxypropyl)-piperidine, DTXCID40819335, VCCAAURNBULZRR-UHFFFAOYSA-N, AAA49520, NSC172229, AKOS013088470, CCG-357572, NSC-172229, (S)-1-((R)-piperidin-2-yl)propan-1-ol, CS-0259394, EN300-73193, G45048, Z1157652498, 831-531-3 |
|---|---|
| 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 |
| Deep Smiles | CCCCCCCCN6))))))O |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Piperidines |
| Scaffold Graph Node Level | C1CCNCC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 95.3 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-piperidin-2-ylpropan-1-ol |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 1.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H17NO |
| Scaffold Graph Node Bond Level | C1CCNCC1 |
| Inchi Key | VCCAAURNBULZRR-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | alpha-conhyrdine, conhydrine |
| Esol Class | Very soluble |
| Functional Groups | CNC, CO |
| Compound Name | 1-(Piperidin-2-yl)propan-1-ol |
| Exact Mass | 143.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 143.131 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 143.23 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C8H17NO/c1-2-8(10)7-5-3-4-6-9-7/h7-10H,2-6H2,1H3 |
| Smiles | CCC(C1CCCCN1)O |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Pseudoalkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Conium Maculatum (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279