3-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}bicyclo[2.2.2]octane-2-carboxylic acid
Chemical Structure Depiction of
3-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}bicyclo[2.2.2]octane-2-carboxylic acid
3-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}bicyclo[2.2.2]octane-2-carboxylic acid
Compound characteristics
| Compound ID: | Y205-5782 |
| Compound Name: | 3-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}bicyclo[2.2.2]octane-2-carboxylic acid |
| Molecular Weight: | 410.44 |
| Molecular Formula: | C21 H25 F3 N2 O3 |
| Smiles: | C1CC2CCC1C(C2C(N1CCN(CC1)c1cccc(c1)C(F)(F)F)=O)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6549 |
| logD: | 1.0349 |
| logSw: | -3.9898 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.668 |
| InChI Key: | REZKBKSKZSIOGA-UHFFFAOYSA-N |