Basic information
- Standard SMILES
O=C(CCCl)N1CCN(c2ccc(Cl)cc2)CC1- InChIKey
OFRGXUCFOHACEM-UHFFFAOYSA-N- Molecular formula
- C13H16Cl2N2O
- Average molar mass
- 287.18 g/mol
- Monoisotopic mass
- 286.0639685
Names & identifiers
- Preferred name
- 3-Chloro-1-(4-(4-chlorophenyl)piperazin-1-yl)propan-1-one
- IUPAC
- 3-chloro-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one
Names & synonyms
3-chloro-1-(4-(4-chlorophenyl)piperazin-1-yl)propan-1-one3-chloro-1-{4-(4-chlorophenyl)piperazin-1-yl}propan-1-oneSCHEMBL9987526OFRGXUCFOHACEM-UHFFFAOYSA-NAKOS003854034
Database identifiers
- PubChem CID
- 4410076
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
- 18
- Formal charge
- 0
- Complexity
- 272
Related reactions
3 records
Compound notes
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