3-{[rel-(3R,4R)-3-(dimethylamino)-4-(hydroxymethyl)piperidin-1-yl]methyl}benzonitrile
Chemical Structure Depiction of
3-{[rel-(3R,4R)-3-(dimethylamino)-4-(hydroxymethyl)piperidin-1-yl]methyl}benzonitrile
3-{[rel-(3R,4R)-3-(dimethylamino)-4-(hydroxymethyl)piperidin-1-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | S229-0214 |
| Compound Name: | 3-{[rel-(3R,4R)-3-(dimethylamino)-4-(hydroxymethyl)piperidin-1-yl]methyl}benzonitrile |
| Molecular Weight: | 273.38 |
| Molecular Formula: | C16 H23 N3 O |
| Smiles: | CN(C)[C@@H]1CN(CC[C@@H]1CO)Cc1cccc(C#N)c1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.8205 |
| logD: | -0.9718 |
| logSw: | -1.0495 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.987 |
| InChI Key: | XXQYGFNPNJSHSO-HOTGVXAUSA-N |