1-{4-[(4-ethoxy-3-methoxyphenyl)methyl]piperazin-1-yl}but-2-yn-1-one
Chemical Structure Depiction of
1-{4-[(4-ethoxy-3-methoxyphenyl)methyl]piperazin-1-yl}but-2-yn-1-one
1-{4-[(4-ethoxy-3-methoxyphenyl)methyl]piperazin-1-yl}but-2-yn-1-one
Compound characteristics
| Compound ID: | T001-1629 |
| Compound Name: | 1-{4-[(4-ethoxy-3-methoxyphenyl)methyl]piperazin-1-yl}but-2-yn-1-one |
| Molecular Weight: | 316.4 |
| Molecular Formula: | C18 H24 N2 O3 |
| Smiles: | CCOc1ccc(CN2CCN(CC2)C(C#CC)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.8658 |
| logD: | 1.843 |
| logSw: | -2.3605 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 35.012 |
| InChI Key: | KFBMQUDNCYWERZ-UHFFFAOYSA-N |