1-{4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-yl}but-2-yn-1-one
Chemical Structure Depiction of
1-{4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-yl}but-2-yn-1-one
1-{4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-yl}but-2-yn-1-one
Compound characteristics
| Compound ID: | T001-1581 |
| Compound Name: | 1-{4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-yl}but-2-yn-1-one |
| Molecular Weight: | 332.4 |
| Molecular Formula: | C18 H24 N2 O4 |
| Smiles: | CC#CC(N1CCN(CC1)Cc1cc(c(cc1OC)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6795 |
| logD: | 1.6554 |
| logSw: | -1.7276 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.063 |
| InChI Key: | ILFZKALIPPJYPL-UHFFFAOYSA-N |