rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-methylpyrrolidine-3-carboxamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-methylpyrrolidine-3-carboxamide--hydrogen chloride (1/1)
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-methylpyrrolidine-3-carboxamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | S954-0237 |
| Compound Name: | rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-methylpyrrolidine-3-carboxamide--hydrogen chloride (1/1) |
| Molecular Weight: | 416.87 |
| Molecular Formula: | C19 H23 F3 N4 O |
| Salt: | HCl |
| Smiles: | [H]N1C[C@@H](C2CCN(CC2)c2ccc(C#N)c(c2)C(F)(F)F)[C@@H](C1)C(NC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7242 |
| logD: | -0.9394 |
| logSw: | -2.7173 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.692 |
| InChI Key: | JZZPQQQRKDFYJT-CVEARBPZSA-N |