1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2,2-dimethylbutan-1-one
Chemical Structure Depiction of
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2,2-dimethylbutan-1-one
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2,2-dimethylbutan-1-one
Compound characteristics
| Compound ID: | Y030-5613 |
| Compound Name: | 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2,2-dimethylbutan-1-one |
| Molecular Weight: | 318.41 |
| Molecular Formula: | C18 H26 N2 O3 |
| Smiles: | CCC(C)(C)C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9648 |
| logD: | 2.3507 |
| logSw: | -2.998 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.814 |
| InChI Key: | OBEBUMDTSHZUKP-UHFFFAOYSA-N |