Basic information
- CAS
23902-91-2- Standard SMILES
COc1ccccc1N1CCN(C(=O)CC(c2ccccc2)c2ccc(Cl)cc2)CC1- InChIKey
JDTFZNXSBNLHFV-UHFFFAOYSA-N- Molecular formula
- C26H27ClN2O2
- Average molar mass
- 435 g/mol
- Monoisotopic mass
- 434.1761058
Names & identifiers
- Preferred name
- Ketone, beta-(p-chlorophenyl)phenethyl 4-(o-methoxyphenyl)piperazinyl
- IUPAC
- 3-(4-chlorophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one
- English name
- 3-(p-Chlorophenyl)-3-phenyl-1-[4-(o-methoxyphenyl)-1-piperazinyl]-1-propanone
- Molecular formula
- C26H27ClN2O2
- Molecular weight
- 434.96
Names & synonyms
23902-91-2beta-(p-Chlorophenyl)phenethyl 4-(o-methoxyphenyl)piperazinyl ketone1-(3-(p-Chlorophenyl)-3-phenylpropionyl)-4-(o-methoxyphenyl)piperazineKETONE, beta-(p-CHLOROPHENYL)PHENETHYL 4-(o-METHOXYPHENYL)PIPERAZINYLPiperazine, 1-(3-(p-chlorophenyl)-3-phenylpropionyl)-4-(o-methoxyphenyl)-RefChem:3504493-(4-chlorophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-oneDTXSID909467013-(p-Chlorophenyl)-3-phenyl-1-[4-(o-methoxyphenyl)-1-piperazinyl]-1-propanone1-Propanone, 3-(4-chlorophenyl)-1-[4-(2-methoxyphenyl)-1-piperazinyl]-3-phenyl-
Database identifiers
- CAS
23902-91-2- PubChem CID
- 32136
- DTXSID
DTXSID90946701- Nikkaji
- J41.533B
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 552
Physicochemical properties
- Density
- 1.0928 · 1.0928 (rough estimate)
- refractive index
- 1.54 · 1.5400 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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