3-[4-(3,5-dichloro-4-pyridinyl)piperazino]-1,1,1-trifluoro-2-propanol (CHEBI:194258)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	3-[4-(3,5-dichloro-4-pyridinyl)piperazino]-1,1,1-trifluoro-2-propanol

ChEBI ID	CHEBI:194258

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H14Cl2F3N3O

Net Charge

Average Mass

344.160

Monoisotopic Mass

343.04660

InChI

InChI=1S/C12H14Cl2F3N3O/c13-8-5-18-6-9(14)11(8)20-3-1-19(2-4-20)7-10(21)12(15,16)17/h5-6,10,21H,1-4,7H2

InChIKey

NOYVNTMPAIAKNS-UHFFFAOYSA-N

SMILES

ClC1=C(N2CCN(CC2)CC(O)C(F)(F)F)C(Cl)=CN=C1

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in peripheral blood mononuclear cell (BTO:0001025). See: MetaboLights Study

ChEBI Ontology
Outgoing	3-[4-(3,5-dichloro-4-pyridinyl)piperazino]-1,1,1-trifluoro-2-propanol (CHEBI:194258) is a piperazines (CHEBI:26144) 3-[4-(3,5-dichloro-4-pyridinyl)piperazino]-1,1,1-trifluoro-2-propanol (CHEBI:194258) is a pyridines (CHEBI:26421)

IUPAC Name

3-[4-(3,5-dichloropyridin-4-yl)piperazin-1-yl]-1,1,1-triluoropropan-2-ol