HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-[4-(3-Methylphenyl)piperazin-1-yl]propanoic acid
OTAVA-BB 7020663575 · 3-(4-(M-tolyl)piperazin-1-yl)propanoic acid · 1-Piperazinepropanoic acid, 4-(3-methylphenyl)- · 3-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid · 3-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid(SALTDATA: H2O)
![3-[4-(3-Methylphenyl)piperazin-1-yl]propanoic acid molecular structure](/img/chemical/258317.png)
Identifiers & Physical Properties
| CAS No. | 500294-64-4 |
|---|---|
| Molecular formula | C14H20N2O2 |
| Average molar mass | 248.32 g/mol |
| Monoisotopic mass | 248.15247789 g/mol |
| SMILES | Cc1cccc(N2CCN(CCC(=O)O)CC2)c1 |
| InChIKey | GDDMWIBZSURPKZ-UHFFFAOYSA-N |
| PubChem CID | 258317 |
| DTXSID | DTXSID60293077 |
Chemical & Physical Properties
| XLogP | -0.6 |
|---|---|
| Topological polar surface area | 43.8 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 4 |
| Heavy atoms | 18 |
| Formal charge | 0 |
| Complexity | 275 |