HuagongsheHuagongshe Chemistry Print Report · For research reference only
5-Acetyl-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-2-one
![5-Acetyl-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-2-one molecular structure](/img/chemical/12377645.png)
Identifiers & Physical Properties
| CAS No. | 89680-94-4 |
|---|---|
| Molecular formula | C17H23NO4 |
| Average molar mass | 305.4 g/mol |
| Monoisotopic mass | 305.16270821 g/mol |
| SMILES | COc1ccc(CCN2CC(C(C)=O)CCC2=O)cc1OC |
| InChIKey | DXROKUAXQABQBN-UHFFFAOYSA-N |
| PubChem CID | 12377645 |
| DTXSID | DTXSID10495206 |
Chemical & Physical Properties
| XLogP | 1.4 |
|---|---|
| Topological polar surface area | 55.8 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 6 |
| Heavy atoms | 22 |
| Formal charge | 0 |
| Complexity | 398 |