4-{3-[(benzyloxy)methyl]piperazin-1-yl}-2-(trifluoromethyl)benzonitrile--hydrogen chloride (1/2)
Chemical Structure Depiction of
4-{3-[(benzyloxy)methyl]piperazin-1-yl}-2-(trifluoromethyl)benzonitrile--hydrogen chloride (1/2)
4-{3-[(benzyloxy)methyl]piperazin-1-yl}-2-(trifluoromethyl)benzonitrile--hydrogen chloride (1/2)
Compound characteristics
| Compound ID: | S956-0647 |
| Compound Name: | 4-{3-[(benzyloxy)methyl]piperazin-1-yl}-2-(trifluoromethyl)benzonitrile--hydrogen chloride (1/2) |
| Molecular Weight: | 448.31 |
| Molecular Formula: | C20 H20 F3 N3 O |
| Salt: | 2HCl |
| Smiles: | [H]N1CCN(CC1COCc1ccccc1)c1ccc(C#N)c(c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0103 |
| logD: | 2.0663 |
| logSw: | -3.4222 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.062 |
| InChI Key: | OAECRQYUTRRBAG-QGZVFWFLSA-N |