HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-Benzyloxycarbonyl-4-(5-cyanoindol-3-yl)piperidine
Identifiers & Physical Properties
| Molecular formula | C22H21N3O2 |
|---|---|
| Average molar mass | 359.4 g/mol |
| Monoisotopic mass | 359.16337692 g/mol |
| SMILES | N#Cc1ccc2[nH]cc(C3CCN(C(=O)OCc4ccccc4)CC3)c2c1 |
| InChIKey | ONRNQGZXWCCYHO-UHFFFAOYSA-N |
| PubChem CID | 22615744 |
Chemical & Physical Properties
| XLogP | 3.7 |
|---|---|
| Topological polar surface area | 69.1 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 4 |
| Heavy atoms | 27 |
| Formal charge | 0 |
| Complexity | 557 |