HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-Cyano-5-[4-(piperidine-1-carbonyl)phenyl]phenol
![3-Cyano-5-[4-(piperidine-1-carbonyl)phenyl]phenol molecular structure](/img/chemical/53220249.png)
Identifiers & Physical Properties
| CAS No. | 1261951-16-9 |
|---|---|
| Molecular formula | C19H18N2O2 |
| Average molar mass | 306.4 g/mol |
| Monoisotopic mass | 306.13682782 g/mol |
| SMILES | N#Cc1cc(O)cc(-c2ccc(C(=O)N3CCCCC3)cc2)c1 |
| InChIKey | AXTSWRPAUJLPBF-UHFFFAOYSA-N |
| PubChem CID | 53220249 |
| DTXSID | DTXSID80685011 |
Chemical & Physical Properties
| XLogP | 3.2 |
|---|---|
| Topological polar surface area | 64.3 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 2 |
| Heavy atoms | 23 |
| Formal charge | 0 |
| Complexity | 455 |