1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-methylbutan-1-one--oxalic acid (1/1)
Chemical Structure Depiction of
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-methylbutan-1-one--oxalic acid (1/1)
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-methylbutan-1-one--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 4964-2727 |
| Compound Name: | 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-methylbutan-1-one--oxalic acid (1/1) |
| Molecular Weight: | 394.42 |
| Molecular Formula: | C17 H24 N2 O3 |
| Salt: | HOOCCOOH |
| Smiles: | CC(C)CC(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2505 |
| logD: | 1.9062 |
| logSw: | -2.7873 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.287 |
| InChI Key: | GPDICJNIZMOBQW-UHFFFAOYSA-N |