2-Pyrrolidinone, 1-(p-chlorophenyl)-3-piperidino-
Basic information
- CAS
6103-61-3- Standard SMILES
O=C1C(N2CCCCC2)CCN1c1ccc(Cl)cc1- InChIKey
GXGWQUTZOBNBNJ-UHFFFAOYSA-N- Molecular formula
- C15H19ClN2O
- Average molar mass
- 278.78 g/mol
- Monoisotopic mass
- 278.1185909
Names & identifiers
- Preferred name
- 2-Pyrrolidinone, 1-(p-chlorophenyl)-3-piperidino-
- IUPAC
- 1-(4-chlorophenyl)-3-piperidin-1-ylpyrrolidin-2-one
- English name
- 1-(p-Chlorophenyl)-3-piperidinopyrrolidin-2-one
- Molecular formula
- C15H19ClN2O
- Molecular weight
- 278.78
Names & synonyms
6103-61-32-Pyrrolidinone, 1-(p-chlorophenyl)-3-piperidino-RefChem:1064733BRN 04880911-(p-Chlorophenyl)-3-piperidino-2-pyrrolidinone1-(4-chlorophenyl)-3-(piperidin-1-yl)pyrrolidin-2-oneDTXSID309765271-(p-Chlorophenyl)-3-piperidinopyrrolidin-2-one2-Pyrrolidinone, 1-(4-chlorophenyl)-3-(1-piperidinyl)-
Database identifiers
- CAS
6103-61-3- PubChem CID
- 110773
- DTXSID
DTXSID30976527- Nikkaji
- J51.467E
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 322
Physicochemical properties
- Melting point
- 136 · 136-138 °C
- Boiling point
- 475.2 · 475.2±40.0 °C(Predicted)
- Density
- 1.246 · 1.246±0.06 g/cm3(Predicted)
- pka
- 8.06 · 8.06±0.20(Predicted)
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Compound notes
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