1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-(4-methoxyphenoxy)propan-2-ol
Chemical Structure Depiction of
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-(4-methoxyphenoxy)propan-2-ol
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-(4-methoxyphenoxy)propan-2-ol
Compound characteristics
| Compound ID: | IB05-9189 |
| Compound Name: | 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-(4-methoxyphenoxy)propan-2-ol |
| Molecular Weight: | 400.47 |
| Molecular Formula: | C22 H28 N2 O5 |
| Smiles: | COc1ccc(cc1)OCC(CN1CCN(CC1)Cc1ccc2c(c1)OCO2)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6 |
| logD: | 2.42 |
| logSw: | -2.7 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.49 |
| InChI Key: | NAOLLHXJGCECEF-SFHVURJKSA-N |