1-[4-(2,5-dimethylphenyl)piperazin-1-yl]but-2-yn-1-one
Chemical Structure Depiction of
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]but-2-yn-1-one
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]but-2-yn-1-one
Compound characteristics
| Compound ID: | T001-0456 |
| Compound Name: | 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]but-2-yn-1-one |
| Molecular Weight: | 256.35 |
| Molecular Formula: | C16 H20 N2 O |
| Smiles: | CC#CC(N1CCN(CC1)c1cc(C)ccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4241 |
| logD: | 3.4241 |
| logSw: | -3.5074 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 19.5903 |
| InChI Key: | QSLQKBWPKOGQRN-UHFFFAOYSA-N |