1-{4-[(3,4-dimethylphenyl)methyl]piperazin-1-yl}but-2-yn-1-one
Chemical Structure Depiction of
1-{4-[(3,4-dimethylphenyl)methyl]piperazin-1-yl}but-2-yn-1-one
1-{4-[(3,4-dimethylphenyl)methyl]piperazin-1-yl}but-2-yn-1-one
Compound characteristics
| Compound ID: | T001-1613 |
| Compound Name: | 1-{4-[(3,4-dimethylphenyl)methyl]piperazin-1-yl}but-2-yn-1-one |
| Molecular Weight: | 270.37 |
| Molecular Formula: | C17 H22 N2 O |
| Smiles: | CC#CC(N1CCN(CC1)Cc1ccc(C)c(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9251 |
| logD: | 2.9144 |
| logSw: | -2.8849 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 20.1713 |
| InChI Key: | CJANUIAKPMOCTN-UHFFFAOYSA-N |