Basic information
- Standard SMILES
CC(=O)c1cccc(N2CCNCC2)c1Cl- InChIKey
KUMFFQQEMKTOBY-UHFFFAOYSA-N- Molecular formula
- C12H15ClN2O
- Average molar mass
- 238.71 g/mol
Names & identifiers
- Preferred name
- 1-(2-Chloro-3-piperazin-1-ylphenyl)ethanone
- IUPAC
- 1-(2-chloro-3-piperazin-1-ylphenyl)ethanone
Names & synonyms
SCHEMBL5373855
Database identifiers
- PubChem CID
- 21073137
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 253
Related reactions
2 records
Compound notes
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