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CHEBI:63681 - [2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol

ChEBI IDCHEBI:63681
ChEBI Name[2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol
Stars
DefinitionAn organofluorine compound that consists of quinoline bearing trifluoromethyl substituents at positions 2 and 8 as well as a (2-piperidinyl)hydroxymethyl substituent at position 4.
Last Modified25 February 2016
SubmitterSteve
DownloadsMolfile
FormulaC17H16F6N2O
Net Charge0
Average Mass378.316
Monoisotopic Mass378.11668
SMILESOC(c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C1CCCCN1
InChIInChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2
InChIKeyXEEQGYMUWCZPDN-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
[2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol (CHEBI:63681) is a organofluorine compound (CHEBI:37143)
[2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol (CHEBI:63681) is a piperidines (CHEBI:26151)
[2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol (CHEBI:63681) is a quinolines (CHEBI:26513)
[2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol (CHEBI:63681) is a secondary alcohol (CHEBI:35681)
Incoming Relation(s)
(+)-(11R,2'S)-erythro-mefloquine (CHEBI:63684) is a [2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol (CHEBI:63681)
(−)-(11S,2'R)-erythro-mefloquine (CHEBI:63687) is a [2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol (CHEBI:63681)
IUPAC Name 
[2,8-bis(trifluoromethyl)quinolin-4-yl](piperidin-2-yl)methanol
Synonyms  Source
α-2-piperidinyl-2,8-bis(trifluoromethyl)-4-quinolinemethanolChEBI
alpha-2-Piperidinyl-2,8-bis(trifluoromethyl)-4-quinolinemethanolChemIDplus
Manual XrefsDatabases
D04895KEGG DRUG
C07633KEGG COMPOUND
LSM-5180LINCS
Registry NumbersSources
Reaxys:766168Reaxys
CAS:49752-90-1ChemIDplus
CAS:53230-10-7KEGG COMPOUND