Basic information
- CAS
23902-89-8- Standard SMILES
O=C(CC(c1ccccc1)c1ccc(Cl)cc1)N1CCN(CCc2ccccc2)CC1- InChIKey
PRMKKOJZFTYWJG-UHFFFAOYSA-N- Molecular formula
- C27H29ClN2O
- Average molar mass
- 433 g/mol
- Monoisotopic mass
- 432.1968412
Names & identifiers
- Preferred name
- Ketone, beta-(p-chlorophenyl)phenethyl 4-phenethylpiperazinyl
- IUPAC
- 3-(4-chlorophenyl)-3-phenyl-1-[4-(2-phenylethyl)piperazin-1-yl]propan-1-one
- English name
- 3-(p-Chlorophenyl)-3-phenyl-1-(4-phenethyl-1-piperazinyl)-1-propanone
- Molecular formula
- C27H29ClN2O
- Molecular weight
- 432.98
Names & synonyms
23902-89-8beta-(p-Chlorophenyl)phenethyl 4-phenethylpiperazinyl ketone1-(3-(p-Chlorophenyl)-3-phenylpropionyl)-4-phenethylpiperazineKETONE, beta-(p-CHLOROPHENYL)PHENETHYL 4-PHENETHYLPIPERAZINYLPiperazine, 1-(3-(p-chlorophenyl)-3-phenylpropionyl)-4-phenethyl-RefChem:3504523-(4-chlorophenyl)-3-phenyl-1-[4-(2-phenylethyl)piperazin-1-yl]propan-1-oneDTXSID809466993-(p-Chlorophenyl)-3-phenyl-1-(4-phenethyl-1-piperazinyl)-1-propanone1-Propanone, 3-(4-chlorophenyl)-3-phenyl-1-[4-(2-phenylethyl)-1-piperazinyl]-
Database identifiers
- CAS
23902-89-8- PubChem CID
- 32135
- DTXSID
DTXSID80946699- Nikkaji
- J41.535I
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 527
Physicochemical properties
- Boiling point
- 292 °C · 292°C (rough estimate)
- Density
- 1.0542 · 1.0542 (rough estimate)
- refractive index
- 1.579 · 1.5790 (estimate)
- pka
- 7.14 · 7.14±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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