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

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ChEBI Name [2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol
ChEBI ID CHEBI:63681
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
See structure as:  Image  Applet
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Formula Source
C17H16F6N2O ChEBI
Net Charge 0
Average Mass 378.31220
InChI
InChI=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
InChIKey
XEEQGYMUWCZPDN-UHFFFAOYSA-N
SMILES
OC(C1CCCCN1)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F
ChEBI Ontology
Outgoing [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 (−)-(11S,2'R)-erythro-mefloquine (CHEBI:63687) is a [2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol (CHEBI:63681)
(+)-(11R,2'S)-erythro-mefloquine (CHEBI:63684) 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 Sources
alpha-2-Piperidinyl-2,8-bis(trifluoromethyl)-4-quinolinemethanol ChemIDplus
α-2-piperidinyl-2,8-bis(trifluoromethyl)-4-quinolinemethanol ChEBI
Database Links Databases
C07633 KEGG COMPOUND
D04895 KEGG DRUG
View more database links
Registry Numbers Types Sources
49752-90-1 CAS Registry Number ChemIDplus
53230-10-7 CAS Registry Number KEGG COMPOUND
766168 Reaxys Registry Number Reaxys
Last Modified
28 July 2014

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