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Basic information
- CAS
83502-56-1- Standard SMILES
O=C(CCCCl)N1CCN(Cc2ccccc2)CC1- InChIKey
XEQUXWHVKDWHQT-UHFFFAOYSA-N- Molecular formula
- C15H21ClN2O
- Average molar mass
- 280.79 g/mol
- Monoisotopic mass
- 280.134241
Names & identifiers
- Preferred name
- 1-(4-Benzylpiperazin-1-yl)-4-chlorobutan-1-one
- IUPAC
- 1-(4-benzylpiperazin-1-yl)-4-chlorobutan-1-one
Names & synonyms
1-(4-benzylpiperazin-1-yl)-4-chlorobutan-1-one1-Benzyl-4-(4-chlorobutyryl)piperazineSCHEMBL10981139XEQUXWHVKDWHQT-UHFFFAOYSA-NDTXSID101208226AKOS00016319083502-56-14-Chloro-1-[4-(phenylmethyl)-1-piperazinyl]-1-butanone
Database identifiers
- CAS
83502-56-1- PubChem CID
- 4380996
- DTXSID
DTXSID101208226
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 271
Related reactions
5 records
Compound notes
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