(-)-Lobeline
Representations & DB's id
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| ChEBI: | CHEBI:48723 | |
|---|---|---|
| ChEMBL: | CHEMBL122270 | |
| PubChem: | 101616 | |
| IUPAC: | 2-[(2R,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-1-phenylethanone | |
| Standard InChI: | InChI=1S/C22H27NO2/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/h2-7,9-12,19-21,24H,8,13-16H2,1H3/t19-,20+,21-/m0/s1 | |
| Standard InChI Key: | MXYUKLILVYORSK-HBMCJLEFSA-N | |
| SMILES: | O[C@H](c1ccccc1)C[C@@H]1CCC[C@@H](N1C)CC(=O)c1ccccc1 | |
Molecular propeties
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| AlogP: | 4.24 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 6 | |
| Number of rings: | 3 | |
| Molecular Weight: | 337.2 | |
| Topological polar surface area: | 40.5 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.409 | |
| Number of carbons: | 22 | |