Basic information
- CAS
23902-87-6- Standard SMILES
CC(O)CN1CCN(C(=O)CC(c2ccccc2)c2ccc(Cl)cc2)CC1- InChIKey
ZDYQGTMZQNUITE-UHFFFAOYSA-N- Molecular formula
- C22H27ClN2O2
- Average molar mass
- 386.9 g/mol
- Monoisotopic mass
- 386.1761058
Names & identifiers
- Preferred name
- Ketone, beta-(p-chlorophenyl)phenethyl 4-(2-hydroxypropyl)piperazinyl
- IUPAC
- 3-(4-chlorophenyl)-1-[4-(2-hydroxypropyl)piperazin-1-yl]-3-phenylpropan-1-one
- English name
- 4-[3-(p-Chlorophenyl)-3-phenylpropionyl]-α-methyl-1-piperazineethanol
- Molecular formula
- C22H27ClN2O2
- Molecular weight
- 386.92
Names & synonyms
beta-(p-Chlorophenyl)phenethyl 4-(2-hydroxypropyl)piperazinyl ketone23902-87-61-(3-(p-Chlorophenyl)-3-phenylpropionyl)-4-(2-hydroxypropyl)piperazineKETONE, beta-(p-CHLOROPHENYL)PHENETHYL 4-(2-HYDROXYPROPYL)PIPERAZINYLPiperazine, 1-(3-(p-chlorophenyl)-3-phenylpropionyl)-4-(2-hydroxypropyl)-RefChem:3504423-(4-chlorophenyl)-1-[4-(2-hydroxypropyl)piperazin-1-yl]-3-phenylpropan-1-oneDTXSID609466974-[3-(p-Chlorophenyl)-3-phenylpropionyl]-alpha-methyl-1-piperazineethanol4-[3-(p-Chlorophenyl)-3-phenylpropionyl]-α-methyl-1-piperazineethanol1-Propanone, 3-(4-chlorophenyl)-1-[4-(2-hydroxypropyl)-1-piperazinyl]-3-phenyl-
Database identifiers
- CAS
23902-87-6- PubChem CID
- 32133
- DTXSID
DTXSID60946697- Nikkaji
- J41.532D
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 453
Physicochemical properties
- Boiling point
- 574.5 · 574.5±50.0 °C(Predicted)
- Density
- 1.1003 · 1.1003 (rough estimate)
- refractive index
- 1.54 · 1.5400 (estimate)
- pka
- 15.03 · 15.03±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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