Basic information
- CAS
27922-14-1- Standard SMILES
CC(CC(=O)c1ccc(F)cc1)N1CCN(c2ccccc2)CC1.Cl.Cl- InChIKey
MEGUUYULQIWIFX-UHFFFAOYSA-N- Molecular formula
- C20H25Cl2FN2O
- Average molar mass
- 399.3 g/mol
- Monoisotopic mass
- 398.132797
Names & identifiers
- Preferred name
- Butyrophenone, 4'-fluoro-3-(4-phenyl-1-piperazinyl)-, dihydrochloride
- IUPAC
- 1-(4-fluorophenyl)-3-(4-phenylpiperazin-1-yl)butan-1-one;dihydrochloride
Names & synonyms
27922-14-1BUTYROPHENONE, 4'-FLUORO-3-(4-PHENYL-1-PIPERAZINYL)-, DIHYDROCHLORIDERefChem:10805144'-Fluoro-3-(4-phenyl-1-piperazinyl)butyrophenone dihydrochlorideDTXSID809505991-(4-Fluorophenyl)-3-(4-phenylpiperazin-1-yl)butan-1-one--hydrogen chloride (1/2)
Database identifiers
- CAS
27922-14-1- PubChem CID
- 34064
- DTXSID
DTXSID80950599
Properties
Computed structural properties
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 394
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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