(2R)-1-[(2-hydroxyphenyl)methyl]-2-pyridin-3-ylpiperidin-2-ol
PubChem CID: 71726245
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| Compound Synonyms | CHEMBL2386322 |
|---|---|
| Prediction Swissadme | 1.0 |
| Topological Polar Surface Area | 56.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | BBKITNAKQHKIJO-QGZVFWFLSA-N |
| Fcsp3 | 0.3529411764705882 |
| Rotatable Bond Count | 3.0 |
| Heavy Atom Count | 21.0 |
| Compound Name | (2R)-1-[(2-hydroxyphenyl)methyl]-2-pyridin-3-ylpiperidin-2-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 284.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 284.152 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 339.0 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 284.35 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2R)-1-[(2-hydroxyphenyl)methyl]-2-pyridin-3-ylpiperidin-2-ol |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -3.050082942857143 |
| Inchi | InChI=1S/C17H20N2O2/c20-16-8-2-1-6-14(16)13-19-11-4-3-9-17(19,21)15-7-5-10-18-12-15/h1-2,5-8,10,12,20-21H,3-4,9,11,13H2/t17-/m1/s1 |
| Smiles | C1CCN([C@@](C1)(C2=CN=CC=C2)O)CC3=CC=CC=C3O |
| Xlogp | 1.9 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C17H20N2O2 |
- 1. Outgoing r'ship
FOUND_INto/from Alangium Chinense (Plant) Rel Props:Source_db:cmaup_ingredients