2-{[4-({4-[3-oxo-3-(pyrrolidin-1-yl)propyl]phenyl}methyl)piperidin-1-yl]methyl}benzonitrile
Chemical Structure Depiction of
2-{[4-({4-[3-oxo-3-(pyrrolidin-1-yl)propyl]phenyl}methyl)piperidin-1-yl]methyl}benzonitrile
2-{[4-({4-[3-oxo-3-(pyrrolidin-1-yl)propyl]phenyl}methyl)piperidin-1-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | S787-1411 |
| Compound Name: | 2-{[4-({4-[3-oxo-3-(pyrrolidin-1-yl)propyl]phenyl}methyl)piperidin-1-yl]methyl}benzonitrile |
| Molecular Weight: | 415.58 |
| Molecular Formula: | C27 H33 N3 O |
| Smiles: | C1CCN(C1)C(CCc1ccc(CC2CCN(CC2)Cc2ccccc2C#N)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7702 |
| logD: | 4.3867 |
| logSw: | -4.7416 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 37.243 |
| InChI Key: | QXYXEGSMLYTJOD-UHFFFAOYSA-N |