3-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazine-1-carbonyl}bicyclo[2.2.2]octane-2-carboxylic acid
Chemical Structure Depiction of
3-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazine-1-carbonyl}bicyclo[2.2.2]octane-2-carboxylic acid
3-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazine-1-carbonyl}bicyclo[2.2.2]octane-2-carboxylic acid
Compound characteristics
| Compound ID: | Y206-3748 |
| Compound Name: | 3-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazine-1-carbonyl}bicyclo[2.2.2]octane-2-carboxylic acid |
| Molecular Weight: | 382.5 |
| Molecular Formula: | C23 H30 N2 O3 |
| Smiles: | C1CC2CCC1C(C2C(N1CCN(CC1)C/C=C/c1ccccc1)=O)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.333 |
| logD: | 0.713 |
| logSw: | -3.4383 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.926 |
| InChI Key: | NXXBTQPXCGPQEY-UHFFFAOYSA-N |