1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-(2,5-dimethylphenoxy)ethan-1-one
Chemical Structure Depiction of
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-(2,5-dimethylphenoxy)ethan-1-one
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-(2,5-dimethylphenoxy)ethan-1-one
Compound characteristics
| Compound ID: | IB05-6622 |
| Compound Name: | 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-(2,5-dimethylphenoxy)ethan-1-one |
| Molecular Weight: | 382.46 |
| Molecular Formula: | C22 H26 N2 O4 |
| Smiles: | Cc1ccc(C)c(c1)OCC(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.99 |
| logD: | 2.97 |
| logSw: | -3.64 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 85.28 |
| InChI Key: | PJJFGMJQPBTZAR-UHFFFAOYSA-N |