3-(4-{[4-(hydroxymethyl)phenyl]methyl}piperidine-1-carbonyl)benzonitrile
Chemical Structure Depiction of
3-(4-{[4-(hydroxymethyl)phenyl]methyl}piperidine-1-carbonyl)benzonitrile
3-(4-{[4-(hydroxymethyl)phenyl]methyl}piperidine-1-carbonyl)benzonitrile
Compound characteristics
| Compound ID: | S723-0063 |
| Compound Name: | 3-(4-{[4-(hydroxymethyl)phenyl]methyl}piperidine-1-carbonyl)benzonitrile |
| Molecular Weight: | 334.42 |
| Molecular Formula: | C21 H22 N2 O2 |
| Smiles: | C1CN(CCC1Cc1ccc(CO)cc1)C(c1cccc(C#N)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5927 |
| logD: | 2.5927 |
| logSw: | -2.6692 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.787 |
| InChI Key: | QCEIOZGQFURANQ-UHFFFAOYSA-N |