Basic information
- CAS
18907-57-8- Standard SMILES
O=C(c1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1- InChIKey
MMRSPHBFKOUXJI-UHFFFAOYSA-N- Molecular formula
- C17H17ClN2O
- Average molar mass
- 300.8 g/mol
- Monoisotopic mass
- 300.1029409
Names & identifiers
- Preferred name
- 1-(4-Chlorobenzoyl)-4-phenylpiperazine
- IUPAC
- (4-chlorophenyl)-(4-phenylpiperazin-1-yl)methanone
Names & synonyms
18907-57-81-(4-chlorobenzoyl)-4-phenylpiperazine(4-chlorophenyl)(4-phenylpiperazin-1-yl)methanone(4-Chlorophenyl)(4-phenyl-1-piperazinyl)methanoneNSC89453(4-chlorophenyl)-(4-phenylpiperazin-1-yl)methanoneNCIOpen2_009806Oprea1_691155Oprea1_845275SCHEMBL6705171CHEMBL4777833SCHEMBL10927391
Show more names
DTXSID30940420NSC-89453STK066793AKOS0012966694-chlorophenyl 4-phenylpiperazinyl ketoneST50682652AG-670/36000025SR-01000206583
Database identifiers
- CAS
18907-57-8- PubChem CID
- 259486
- DTXSID
DTXSID30940420- ChEMBL
CHEMBL4777833
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 341
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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