1-{4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl}but-2-yn-1-one
Chemical Structure Depiction of
1-{4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl}but-2-yn-1-one
1-{4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl}but-2-yn-1-one
Compound characteristics
| Compound ID: | T001-1601 |
| Compound Name: | 1-{4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl}but-2-yn-1-one |
| Molecular Weight: | 302.37 |
| Molecular Formula: | C17 H22 N2 O3 |
| Smiles: | CC#CC(N1CCN(CC1)Cc1cccc(c1OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9729 |
| logD: | 1.93 |
| logSw: | -2.28 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 35.519 |
| InChI Key: | DGDBLSFUGWLOBV-UHFFFAOYSA-N |