5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-5-oxopentanoic acid
Chemical Structure Depiction of
5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-5-oxopentanoic acid
5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-5-oxopentanoic acid
Compound characteristics
| Compound ID: | Y041-3593 |
| Compound Name: | 5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-5-oxopentanoic acid |
| Molecular Weight: | 334.37 |
| Molecular Formula: | C17 H22 N2 O5 |
| Smiles: | C(CC(O)=O)CC(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4233 |
| logD: | 0.4233 |
| logSw: | -1.5278 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.671 |
| InChI Key: | JDVOPBJMLWWIRN-UHFFFAOYSA-N |