HuagongsheHuagongshe Chemistry Print Report · For research reference only
(3-Hydroxyphenyl)(piperidin-1-yl)acetonitrile
Identifiers & Physical Properties
| CAS No. | 7038-28-0 |
|---|---|
| Molecular formula | C13H16N2O |
| Average molar mass | 216.28 g/mol |
| Monoisotopic mass | 216.12626314 g/mol |
| SMILES | N#CC(c1cccc(O)c1)N1CCCCC1 |
| InChIKey | GKUJBRDRYQAIOI-UHFFFAOYSA-N |
| PubChem CID | 5259202 |
| DTXSID | DTXSID10413869 |
Chemical & Physical Properties
| XLogP | 2.2 |
|---|---|
| Topological polar surface area | 47.3 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 2 |
| Heavy atoms | 16 |
| Formal charge | 0 |
| Complexity | 264 |