Ketone, beta-(p-chlorophenyl)phenethyl 4-(o-tolyl)piperazinyl
Basic information
- CAS
23904-87-2- Standard SMILES
Cc1ccccc1N1CCN(C(=O)CC(c2ccccc2)c2ccc(Cl)cc2)CC1- InChIKey
KBNOGJIHESRQCG-UHFFFAOYSA-N- Molecular formula
- C26H27ClN2O
- Average molar mass
- 419 g/mol
- Monoisotopic mass
- 418.1811912
Names & identifiers
- Preferred name
- Ketone, beta-(p-chlorophenyl)phenethyl 4-(o-tolyl)piperazinyl
- IUPAC
- 3-(4-chlorophenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]-3-phenylpropan-1-one
- English name
- 3-(p-Chlorophenyl)-3-phenyl-1-[4-(2-methylphenyl)-1-piperazinyl]-1-propanone
- Molecular formula
- C26H27ClN2O
- Molecular weight
- 418.96
Names & synonyms
23904-87-2beta-(p-Chlorophenyl)phenethyl 4-(o-tolyl)piperazinyl ketone1-(3-(p-Chlorophenyl)-3-phenylpropionyl)-4-(o-tolyl)piperazineKETONE, beta-(p-CHLOROPHENYL)PHENETHYL 4-(o-TOLYL)PIPERAZINYLPiperazine, 1-(3-(p-chlorophenyl)-3-phenylpropionyl)-4-(o-tolyl)-RefChem:3504503-(4-chlorophenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]-3-phenylpropan-1-oneDTXSID809467103-(p-Chlorophenyl)-3-phenyl-1-[4-(2-methylphenyl)-1-piperazinyl]-1-propanone1-Propanone, 3-(4-chlorophenyl)-1-[4-(2-methylphenyl)-1-piperazinyl]-3-phenyl-
Database identifiers
- CAS
23904-87-2- PubChem CID
- 32139
- DTXSID
DTXSID80946710- Nikkaji
- J41.539A
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 533
Physicochemical properties
- Density
- 1.0683 · 1.0683 (rough estimate)
- refractive index
- 1.579 · 1.5790 (estimate)
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Related reactions
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Compound notes
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