Basic information
- CAS
23904-74-7- Standard SMILES
O=C(CC(c1ccccc1)c1ccc(Cl)cc1)N1CCN(c2ccccn2)CC1- InChIKey
JLECXHKEFWMTDA-UHFFFAOYSA-N- Molecular formula
- C24H24ClN3O
- Average molar mass
- 405.9 g/mol
- Monoisotopic mass
- 405.1607901
Names & identifiers
- Preferred name
- Ketone, beta-(p-chlorophenyl)phenethyl 4-(2-pyridyl)piperazinyl
- IUPAC
- 3-(4-chlorophenyl)-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
- English name
- 3-(p-Chlorophenyl)-3-phenyl-1-[4-(2-pyridyl)-1-piperazinyl]-1-propanone
- Molecular formula
- C24H24ClN3O
- Molecular weight
- 405.92
Names & synonyms
23904-74-7beta-(p-Chlorophenyl)phenethyl 4-(2-pyridyl)piperazinyl ketone1-(3-(p-Chlorophenyl)-3-phenylpropionyl)-4-(2-pyridyl)piperazineKETONE, beta-(p-CHLOROPHENYL)PHENETHYL 4-(2-PYRIDYL)PIPERAZINYLPiperazine, 1-(3-(p-chlorophenyl)-3-phenylpropionyl)-4-(2-pyridyl)-RefChem:3504433-(4-chlorophenyl)-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one3-(p-Chlorophenyl)-3-phenyl-1-[4-(2-pyridyl)-1-piperazinyl]-1-propanoneDTXSID709467043-(4-chlorophenyl)-3-phenyl-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-1-one1-Propanone, 3-(4-chlorophenyl)-3-phenyl-1-[4-(2-pyridinyl)-1-piperazinyl]-
Database identifiers
- CAS
23904-74-7- PubChem CID
- 32138
- DTXSID
DTXSID70946704- Nikkaji
- J41.536G
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 36.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 508
Physicochemical properties
- Density
- 1.1436 · 1.1436 (rough estimate)
- refractive index
- 1.579 · 1.5790 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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