Propiophenone, 4'-fluoro-3-(4-(beta-isobutoxyphenethyl)-1-piperazinyl)-, dihydrochloride

HCID 210487

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Basic information

CAS: 21263-34-3
Standard SMILES: CC(C)(C)OC(Cc1ccccc1)N1CCN(CCC(=O)c2ccc(F)cc2)CC1.Cl.Cl
InChIKey: LGWJPTYOLPWKDK-UHFFFAOYSA-N
Molecular formula: C25H35Cl2FN2O2
Average molar mass: 485.5 g/mol
Monoisotopic mass: 484.2059619

Names & identifiers

Preferred name: Propiophenone, 4'-fluoro-3-(4-(beta-isobutoxyphenethyl)-1-piperazinyl)-, dihydrochloride
IUPAC: 1-(4-fluorophenyl)-3-[4-[1-[(2-methylpropan-2-yl)oxy]-2-phenylethyl]piperazin-1-yl]propan-1-one;dihydrochloride

Names & synonyms

21263-34-34'-Fluoro-3-(4-(beta-isobutoxyphenethyl)-1-piperazinyl)propiophenone dihydrochloridePropiophenone, 4'-fluoro-3-(4-(beta-isobutoxyphenethyl)-1-piperazinyl)-, dihydrochlorideRefChem:375457DTXSID309437143-[4-(1-tert-Butoxy-2-phenylethyl)piperazin-1-yl]-1-(4-fluorophenyl)propan-1-one--hydrogen chloride (1/2)

Database identifiers

CAS: 21263-34-3
PubChem CID: 210487
DTXSID: DTXSID30943714

Properties

Computed structural properties

Topological polar surface area: 32.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 9
Heavy atoms: 32
Formal charge: 0
Complexity: 514

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