4-[3-(methoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile--hydrogen chloride (1/2)
Chemical Structure Depiction of
4-[3-(methoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile--hydrogen chloride (1/2)
4-[3-(methoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile--hydrogen chloride (1/2)
Compound characteristics
| Compound ID: | S956-0205 |
| Compound Name: | 4-[3-(methoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile--hydrogen chloride (1/2) |
| Molecular Weight: | 372.21 |
| Molecular Formula: | C14 H16 F3 N3 O |
| Salt: | 2HCl |
| Smiles: | [H]N1CCN(CC1COC)c1ccc(C#N)c(c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4311 |
| logD: | 0.4213 |
| logSw: | -2.2693 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.323 |
| InChI Key: | ULJHWHIDARTLBF-LLVKDONJSA-N |