Basic information
- CAS
2392-47-4- Standard SMILES
O=C(CCCl)N1CCN(c2ccccc2)CC1- InChIKey
JMYATZATBVYLGD-UHFFFAOYSA-N- Molecular formula
- C13H17ClN2O
- Average molar mass
- 252.74 g/mol
- Monoisotopic mass
- 252.10294084
Names & identifiers
- Preferred name
- 3-Chloro-1-(4-phenylpiperazin-1-yl)propan-1-one
- IUPAC
- 3-chloro-1-(4-phenylpiperazin-1-yl)propan-1-one
Names & synonyms
3-chloro-1-(4-phenylpiperazin-1-yl)propan-1-one2392-47-4NSC 60322NSC60322NCIOpen2_002312SCHEMBL9988385DTXSID70289325JMYATZATBVYLGD-UHFFFAOYSA-NNSC-60322AKOS0001621901-(beta-Chloropropionyl)-4-phenylpiperazine3-Chloro-1-(4-phenyl-1-piperazinyl)-1-propanone
Show more names
1-Propanone, 3-chloro-1-(4-phenyl-1-piperazinyl)-F1908-1928
Database identifiers
- CAS
2392-47-4- PubChem CID
- 246797
- DTXSID
DTXSID70289325
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 246
Related reactions
5 records
Compound notes
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