3-{4-[(4-{[(2-methoxyethyl)(methyl)amino]methyl}phenyl)methyl]piperidine-1-carbonyl}benzonitrile
Chemical Structure Depiction of
3-{4-[(4-{[(2-methoxyethyl)(methyl)amino]methyl}phenyl)methyl]piperidine-1-carbonyl}benzonitrile
3-{4-[(4-{[(2-methoxyethyl)(methyl)amino]methyl}phenyl)methyl]piperidine-1-carbonyl}benzonitrile
Compound characteristics
| Compound ID: | S722-1231 |
| Compound Name: | 3-{4-[(4-{[(2-methoxyethyl)(methyl)amino]methyl}phenyl)methyl]piperidine-1-carbonyl}benzonitrile |
| Molecular Weight: | 405.54 |
| Molecular Formula: | C25 H31 N3 O2 |
| Smiles: | CN(CCOC)Cc1ccc(CC2CCN(CC2)C(c2cccc(C#N)c2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.9656 |
| logD: | 1.7646 |
| logSw: | -3.1155 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.108 |
| InChI Key: | QVHALNAXUUOFFR-UHFFFAOYSA-N |