4-[4-({4-[(4-methylpiperazin-1-yl)methyl]phenyl}methyl)piperidine-1-carbonyl]benzonitrile
Chemical Structure Depiction of
4-[4-({4-[(4-methylpiperazin-1-yl)methyl]phenyl}methyl)piperidine-1-carbonyl]benzonitrile
4-[4-({4-[(4-methylpiperazin-1-yl)methyl]phenyl}methyl)piperidine-1-carbonyl]benzonitrile
Compound characteristics
| Compound ID: | S722-0935 |
| Compound Name: | 4-[4-({4-[(4-methylpiperazin-1-yl)methyl]phenyl}methyl)piperidine-1-carbonyl]benzonitrile |
| Molecular Weight: | 416.57 |
| Molecular Formula: | C26 H32 N4 O |
| Smiles: | CN1CCN(CC1)Cc1ccc(CC2CCN(CC2)C(c2ccc(C#N)cc2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.9824 |
| logD: | 2.1835 |
| logSw: | -3.0078 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.881 |
| InChI Key: | HADPORLYFNKWSO-UHFFFAOYSA-N |