MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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1-(3-(trifluoromethyl)phenyl)piperazine

	Properties	Image
MNX_ID	MNXM149957
reference	chebi:83536
formula	C₁₁H₁₃F₃N₂
global charge	0
mol weight	230.233
InChIKey	KKIMDKMETPPURN-UHFFFAOYSA-N
InChI	InChI=1S/C11H13F3N2/c12-11(13,14)9-2-1-3-10(8-9)16-6-4-15-5-7-16/h1-3,8,15H,4-7H2
SMILES	FC(F)(F)C1=CC(N2CCNCC2)=CC=C1

MNX internals

InChI (mnx)	InChI=1/C11H13F3N2/c12-11(13,14)9-2-1-3-10(8-9)16-6-4-15-5-7-16/h1-3,8,15H,4-7H2
SMILES (mnx)	[CH:1]1=[CH:2][C:9]([C:11]([F:12])([F:13])[F:14])=[CH:8][C:10]([N:16]2[CH2:6][CH2:4][NH:15][CH2:5][CH2:7]2)=[CH:3]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:83536 chebi:83536 KKIMDKMETPPURN-UHFFFAOYSA-N	1-(3-(trifluoromethyl)phenyl)piperazine 1-(m-trifluoromethylphenyl)piperazine 1-[3-(trifluoromethyl)phenyl]piperazine 3-trifluoromethylphenylpiperazine N-(alpha,alpha,alpha-trifluoro-3-tolyl)piperazine TFMPP
sabiork.compound:25020 sabiorkM:25020 KKIMDKMETPPURN-UHFFFAOYSA-N	1-(3-Trifluoromethylphenyl)piperazine
kegg.compound:C22745 keggC:C22745 KKIMDKMETPPURN-UHFFFAOYSA-N	1-(3-Trifluoromethylphenyl)piperazine TFMPP
hmdb:HMDB0244703 KKIMDKMETPPURN-UHFFFAOYSA-N	1-[3-(Trifluoromethyl)phenyl]piperazine 1-(3-Trifluoromethylphenyl)piperazine 1-(m-Trifluoromethylphenyl)piperazine 1-[3-(trifluoromethyl)phenyl]piperazine 3-Trifluoromethylphenylpiperazine N-(a,a,a-Trifluoro-3-tolyl)piperazine N-(alpha,alpha,alpha-Trifluoro-3-tolyl)piperazine N-(alpha,alpha,alpha-trifluoro-3-tolyl)piperazine TFMPP
keggC:M_C22745	secondary/obsolete/fantasy identifier