Basic information
- CAS
1253792-24-3- Standard SMILES
O=C1[C@@H](O)CCN1C1CCNCC1- InChIKey
UDUFWKWMUILCMD-QMMMGPOBSA-N- Molecular formula
- C9H16N2O2
- Average molar mass
- 184.24 g/mol
- Monoisotopic mass
- 184.12117776
Names & identifiers
- Preferred name
- (S)-3-Hydroxy-1-piperidin-4-YL-pyrrolidin-2-one
- IUPAC
- (3S)-3-hydroxy-1-piperidin-4-ylpyrrolidin-2-one
- English name
- (2S)-2-Hydroxy-5-(piperazin-1-yl)cyclopentanone
- Molecular formula
- C9H16N2O2
- Molecular weight
- 184.24
Names & synonyms
(S)-3-HYDROXY-1-PIPERIDIN-4-YL-PYRROLIDIN-2-ONE1253792-24-3(S)-3-Hydroxy-1-(piperidin-4-yl)pyrrolidin-2-oneMFCD09800475(3S)-3-hydroxy-1-piperidin-4-ylpyrrolidin-2-oneSCHEMBL15447439AKOS006328610AS-37883CS-0172974(3S)-3-hydroxy-1-(4-piperidyl)pyrrolidin-2-oneF303152(2S)-2-Hydroxy-5-(piperazin-1-yl)cyclopentanone
Show more names
2-Pyrrolidinone, 3-hydroxy-1-(4-piperidinyl)-, (3S)-
Database identifiers
- CAS
1253792-24-3- PubChem CID
- 27282275
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- Boiling point
- 382.461 · 382.461±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.233 · 1.233±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.644 · 13.644±0.20(predicted)
Chemistry & industry
Suppliers5 total
Fluorochem Ltd[email protected]
A.J Chemicals[email protected]
ASTATECH[email protected]
COMBI-BLOCKS[email protected]
MATRIX[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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