1-{4-[bis(4-fluorophenyl)methyl]piperazin-1-yl}but-2-yn-1-one
Chemical Structure Depiction of
1-{4-[bis(4-fluorophenyl)methyl]piperazin-1-yl}but-2-yn-1-one
1-{4-[bis(4-fluorophenyl)methyl]piperazin-1-yl}but-2-yn-1-one
Compound characteristics
| Compound ID: | T001-0405 |
| Compound Name: | 1-{4-[bis(4-fluorophenyl)methyl]piperazin-1-yl}but-2-yn-1-one |
| Molecular Weight: | 354.4 |
| Molecular Formula: | C21 H20 F2 N2 O |
| Smiles: | CC#CC(N1CCN(CC1)C(c1ccc(cc1)F)c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9408 |
| logD: | 3.9408 |
| logSw: | -3.891 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 19.1922 |
| InChI Key: | HXEUIMKKPQMSEM-UHFFFAOYSA-N |