Basic information
- CAS
23902-88-7- Standard SMILES
CC(C)(C)c1ccc(CN2CCN(C(=O)CC(c3ccccc3)c3ccc(Cl)cc3)CC2)cc1- InChIKey
KSSCQOYOOOZQGL-UHFFFAOYSA-N- Molecular formula
- C30H35ClN2O
- Average molar mass
- 475.1 g/mol
- Monoisotopic mass
- 474.2437914
Names & identifiers
- Preferred name
- Ketone, 4-(p-tert-butylbenzyl)piperazinyl beta-(p-chlorophenyl)phenethyl
- IUPAC
- 1-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-3-(4-chlorophenyl)-3-phenylpropan-1-one
- English name
- 1-[4-(p-tert-Butylbenzyl)-1-piperazinyl]-3-(p-chlorophenyl)-3-phenyl-1-propanone
- Molecular formula
- C30H35ClN2O
- Molecular weight
- 475.06
Names & synonyms
23902-88-74-(p-tert-Butylbenzyl)piperazinyl beta-(p-chlorophenyl) ketone1-(p-tert-Butylbenzyl)-4-(3-(p-chlorophenyl)-3-phenylpropionyl)piperazineKETONE, 4-(p-tert-BUTYLBENZYL)PIPERAZINYL beta-(p-CHLOROPHENYL)PHENETHYLPiperazine, 1-(p-tert-butylbenzyl)-4-(3-(p-chlorophenyl)-3-phenylpropionyl)-RefChem:350428DTXSID209466981-[4-(p-tert-Butylbenzyl)-1-piperazinyl]-3-(p-chlorophenyl)-3-phenyl-1-propanone1-{4-[(4-tert-Butylphenyl)methyl]piperazin-1-yl}-3-(4-chlorophenyl)-3-phenylpropan-1-one1-Propanone, 3-(4-chlorophenyl)-1-[4-[[4-(1,1-dimethylethyl)phenyl]methyl]-1-piperazinyl]-3-phenyl-
Database identifiers
- CAS
23902-88-7- PubChem CID
- 32134
- DTXSID
DTXSID20946698- Nikkaji
- J41.528F
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 616
Physicochemical properties
- Density
- 1.0122 · 1.0122 (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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