HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-[2-(3,4-Dihydro-2H-1-benzopyran-4-yl)ethyl]piperazine
![1-[2-(3,4-Dihydro-2H-1-benzopyran-4-yl)ethyl]piperazine molecular structure](/img/chemical/19829409.png)
Identifiers & Physical Properties
| CAS No. | 121278-42-0 |
|---|---|
| Molecular formula | C15H22N2O |
| Average molar mass | 246.35 g/mol |
| Monoisotopic mass | 246.17321333 g/mol |
| SMILES | c1ccc2c(c1)OCCC2CCN1CCNCC1 |
| InChIKey | MLYZWSMCYQOEPY-UHFFFAOYSA-N |
| PubChem CID | 19829409 |
| DTXSID | DTXSID501207125 |
Chemical & Physical Properties
| XLogP | 1.8 |
|---|---|
| Topological polar surface area | 24.5 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 3 |
| Heavy atoms | 18 |
| Formal charge | 0 |
| Complexity | 253 |