1-{4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl}but-2-yn-1-one
Chemical Structure Depiction of
1-{4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl}but-2-yn-1-one
1-{4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl}but-2-yn-1-one
Compound characteristics
| Compound ID: | T001-1573 |
| Compound Name: | 1-{4-[(2,5-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)Cc1cc(ccc1OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0321 |
| logD: | 1.9891 |
| logSw: | -2.4777 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 35.346 |
| InChI Key: | URJGOOXRKNUTFM-UHFFFAOYSA-N |