Benzenamine, 4-(3-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)propoxy)-, dihydrochloride

HCID 55418

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Basic information

CAS: 85868-50-4
Standard SMILES: [Cl-].[Cl-].[NH3+]c1ccc(OCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1
InChIKey: MKHHQTIDGSLBJD-UHFFFAOYSA-N
Molecular formula: C20H26Cl2F3N3O
Average molar mass: 452.3 g/mol
Monoisotopic mass: 451.1405023

Names & identifiers

Preferred name: Benzenamine, 4-(3-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)propoxy)-, dihydrochloride
IUPAC: [4-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propoxy]phenyl]azanium dichloride

Names & synonyms

Benzenamine, 4-(3-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)propoxy)-, dihydrochloride4-(3-(4-(3-(Trifluoromethyl)phenyl)-1-piperazinyl)propoxy)benzenamine dihydrochloride85868-50-4RefChem:322883

Database identifiers

CAS: 85868-50-4
PubChem CID: 55418

Properties

Computed structural properties

Topological polar surface area: 44.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 6
Heavy atoms: 29
Formal charge: 0
Complexity: 433

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