HuagongsheHuagongshe Chemistry Print Report · For research reference only
(S)-3-Hydroxy-1-piperidin-4-YL-pyrrolidin-2-one
(2S)-2-Hydroxy-5-(piperazin-1-yl)cyclopentanone · 2-Pyrrolidinone, 3-hydroxy-1-(4-piperidinyl)-, (3S)-
Identifiers & Physical Properties
| CAS No. | 1253792-24-3 |
|---|---|
| Molecular formula | C9H16N2O2 |
| Average molar mass | 184.24 g/mol |
| Monoisotopic mass | 184.12117776 g/mol |
| SMILES | O=C1[C@@H](O)CCN1C1CCNCC1 |
| InChIKey | UDUFWKWMUILCMD-QMMMGPOBSA-N |
| PubChem CID | 27282275 |
Chemical & Physical Properties
| XLogP | -0.6 |
|---|---|
| Topological polar surface area | 52.6 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 1 |
| Heavy atoms | 13 |
| Formal charge | 0 |
| Complexity | 202 |
| Boiling point | 382.461±42.00 °C(Press: 760.00 Torr)(predicted) |
| Density | 1.233±0.06 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |
| pKa (acidity coefficient) | 13.644±0.20(predicted) |