3-{[rel-(3R,4R)-3-(1-acetylpiperidin-4-yl)-4-(hydroxymethyl)pyrrolidin-1-yl]methyl}benzonitrile
Chemical Structure Depiction of
3-{[rel-(3R,4R)-3-(1-acetylpiperidin-4-yl)-4-(hydroxymethyl)pyrrolidin-1-yl]methyl}benzonitrile
3-{[rel-(3R,4R)-3-(1-acetylpiperidin-4-yl)-4-(hydroxymethyl)pyrrolidin-1-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | S632-2428 |
| Compound Name: | 3-{[rel-(3R,4R)-3-(1-acetylpiperidin-4-yl)-4-(hydroxymethyl)pyrrolidin-1-yl]methyl}benzonitrile |
| Molecular Weight: | 341.45 |
| Molecular Formula: | C20 H27 N3 O2 |
| Smiles: | CC(N1CCC(CC1)[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.303 |
| logD: | 0.8812 |
| logSw: | -1.7505 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.491 |
| InChI Key: | ACODIUVCVPVZQC-PMACEKPBSA-N |