Acetophenone, 3'-((2-hydroxy-3-(4-(alpha,alpha,alpha-trifluoro-m-tolyl)piperazinyl))propoxy)-, dihydrochloride

HCID 46166

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Basic information

CAS: 63990-54-5
Standard SMILES: CC(=O)c1cccc(OCC(O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1.Cl.Cl
InChIKey: UOCAPIHAVVORKH-UHFFFAOYSA-N
Molecular formula: C22H27Cl2F3N2O3
Average molar mass: 495.4 g/mol
Monoisotopic mass: 494.1350826

Names & identifiers

Preferred name: Acetophenone, 3'-((2-hydroxy-3-(4-(alpha,alpha,alpha-trifluoro-m-tolyl)piperazinyl))propoxy)-, dihydrochloride
IUPAC: 1-[3-[2-hydroxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propoxy]phenyl]ethanone;dihydrochloride

Names & synonyms

63990-54-5Acetophenone, 3'-((2-hydroxy-3-(4-(alpha,alpha,alpha-trifluoro-m-tolyl)piperazinyl))propoxy)-, dihydrochlorideRefChem:316925DTXSID709817711-[3-(2-Hydroxy-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propoxy)phenyl]ethan-1-one--hydrogen chloride (1/2)

Database identifiers

CAS: 63990-54-5
PubChem CID: 46166
DTXSID: DTXSID70981771

Properties

Computed structural properties

Topological polar surface area: 53 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 8
Rotatable bonds: 7
Heavy atoms: 32
Formal charge: 0
Complexity: 552

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