HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-(3-Nitro-benzyl)-piperidin-4-yl 4-methyl-benzoate
Identifiers & Physical Properties
| Molecular formula | C20H22N2O4 |
|---|---|
| Average molar mass | 354.4 g/mol |
| Monoisotopic mass | 354.15795719 g/mol |
| SMILES | Cc1ccc(C(=O)OC2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)cc1 |
| InChIKey | ILMIXUPVLUNUKM-UHFFFAOYSA-N |
| PubChem CID | 18919829 |
Chemical & Physical Properties
| XLogP | 4.1 |
|---|---|
| Topological polar surface area | 75.4 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 5 |
| Heavy atoms | 26 |
| Formal charge | 0 |
| Complexity | 477 |