Basic information
- CAS
314284-40-7- Standard SMILES
O=C(c1cccc(Cl)c1)N1CCN(Cc2ccccc2)CC1- InChIKey
ZLTKEWPBTUOPCB-UHFFFAOYSA-N- Molecular formula
- C18H19ClN2O
- Average molar mass
- 314.8 g/mol
- Monoisotopic mass
- 314.1185909
Names & identifiers
- Preferred name
- 1-Benzyl-4-(3-chlorobenzoyl)piperazine
- IUPAC
- (4-benzylpiperazin-1-yl)-(3-chlorophenyl)methanone
Names & synonyms
1-benzyl-4-(3-chlorobenzoyl)piperazineCambridge id 5538505Oprea1_350005Oprea1_360875MLS001204538(4-Benzyl-piperazin-1-yl)-(3-chloro-phenyl)-methanoneCHEMBL1351818SCHEMBL10389694HMS2825F16STK029105AKOS0007407313-chlorophenyl 4-benzylpiperazinyl ketone
Show more names
SMR000514525ST011833AB00088008-01(4-benzylpiperazin-1-yl)(3-chlorophenyl)methanone(4-benzylpiperazin-1-yl)(3-chlorophenyl)methanone--hydrogen chloride (1/1)
Database identifiers
- CAS
314284-40-7- PubChem CID
- 720140
- ChEMBL
CHEMBL1351818- EC Number
- 164-419-1
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 362
Experimental & physicochemical properties
Solubility47.1 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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