HuagongsheHuagongshe Chemistry Print Report · For research reference only
Piperazine, 1-(1-oxo-3-phenyl-2-propynyl)-
Identifiers & Physical Properties
| CAS No. | 676596-37-5 |
|---|---|
| Molecular formula | C13H14N2O |
| Average molar mass | 214.26 g/mol |
| Monoisotopic mass | 214.11061307 g/mol |
| SMILES | O=C(C#Cc1ccccc1)N1CCNCC1 |
| InChIKey | PESZUKJNNJEQLI-UHFFFAOYSA-N |
| PubChem CID | 11622607 |
| DTXSID | DTXSID00469592 |
Chemical & Physical Properties
| XLogP | 1.3 |
|---|---|
| Topological polar surface area | 32.3 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 1 |
| Heavy atoms | 16 |
| Formal charge | 0 |
| Complexity | 300 |