(1R)-2-[(2R,6R)-6-[(2S)-2-Hydroxy-2-Phenylethyl]-1-Methylpiperidin-2-Yl]-1-Phenylethanol
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1473116 | |
| PubChem: | 6604328 | |
| IUPAC: | (1R)-2-[(2R,6R)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-1-phenylethanol | |
| Standard InChI: | InChI=1S/C22H29NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-22,24-25H,8,13-16H2,1H3/t19-,20-,21-,22+/m1/s1 | |
| Standard InChI Key: | OWGJQNXIWMMDTH-YSFYHYPLSA-N | |
| SMILES: | O[C@H](c1ccccc1)C[C@H]1CCC[C@@H](N1C)C[C@H](c1ccccc1)O | |
Molecular propeties
| ||
| AlogP: | 4.09 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 6 | |
| Number of rings: | 3 | |
| Molecular Weight: | 339.22 | |
| Topological polar surface area: | 43.7 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.455 | |
| Number of carbons: | 22 | |