1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2,2-dichloroethan-1-one
Chemical Structure Depiction of
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2,2-dichloroethan-1-one
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2,2-dichloroethan-1-one
Compound characteristics
| Compound ID: | Y032-1538 |
| Compound Name: | 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2,2-dichloroethan-1-one |
| Molecular Weight: | 331.2 |
| Molecular Formula: | C14 H16 Cl2 N2 O3 |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)C(C([Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 1.7521 |
| logD: | 1.7272 |
| logSw: | -2.2346 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.814 |
| InChI Key: | IRLMPCZCMDGCCH-UHFFFAOYSA-N |