3-{[rel-(3R,4R)-4-hydroxy-4-methyl-3-(pyrrolidin-1-yl)piperidin-1-yl]methyl}benzonitrile
Chemical Structure Depiction of
3-{[rel-(3R,4R)-4-hydroxy-4-methyl-3-(pyrrolidin-1-yl)piperidin-1-yl]methyl}benzonitrile
3-{[rel-(3R,4R)-4-hydroxy-4-methyl-3-(pyrrolidin-1-yl)piperidin-1-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | S214-0196 |
| Compound Name: | 3-{[rel-(3R,4R)-4-hydroxy-4-methyl-3-(pyrrolidin-1-yl)piperidin-1-yl]methyl}benzonitrile |
| Molecular Weight: | 299.41 |
| Molecular Formula: | C18 H25 N3 O |
| Smiles: | C[C@]1(CCN(Cc2cccc(C#N)c2)C[C@H]1N1CCCC1)O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5994 |
| logD: | 0.1268 |
| logSw: | -1.107 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.211 |
| InChI Key: | DJEYULVXUXVBMQ-ROUUACIJSA-N |