1-[2,8-bis(trifluoromethyl)quinolin-4-yl]piperidin-3-ol

C16H14F6N2O — CID 24788547

IUPAC1-[2,8-bis(trifluoromethyl)quinolin-4-yl]piperidin-3-ol
SMILESOC1CCCN(c2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)C1
InChIInChI=1S/C16H14F6N2O/c17-15(18,19)11-5-1-4-10-12(24-6-2-3-9(25)8-24)7-13(16(20,21)22)23-14(10)11/h1,4-5,7,9,25H,2-3,6,8H2
InChIKeyOUJJSWIIFQTAKA-UHFFFAOYSA-N
MW364.29 g/mol
LogP4.23
Rot. Bonds1

About 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]piperidin-3-ol

1-[2,8-bis(trifluoromethyl)quinolin-4-yl]piperidin-3-ol (PubChem CID 24788547) has the molecular formula C16H14F6N2O and a molecular weight of 364.29 g/mol. Its IUPAC name is 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]piperidin-3-ol.

Molecular Properties

Compound Name1-[2,8-bis(trifluoromethyl)quinolin-4-yl]piperidin-3-ol
PubChem CID24788547
Molecular FormulaC16H14F6N2O
Molecular Weight364.29 g/mol
Exact Mass364.10
IUPAC Name1-[2,8-bis(trifluoromethyl)quinolin-4-yl]piperidin-3-ol
SMILESOC1CCCN(c2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)C1
InChIInChI=1S/C16H14F6N2O/c17-15(18,19)11-5-1-4-10-12(24-6-2-3-9(25)8-24)7-13(16(20,21)22)23-14(10)11/h1,4-5,7,9,25H,2-3,6,8H2
InChIKeyOUJJSWIIFQTAKA-UHFFFAOYSA-N
XLogP4.23
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.29
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Mefloquine
CID 4046
Mefloquine Hydrochloride
CID 65329
(-)-Mefloquine
CID 40692
(+)-Mefloquine
CID 456309
rel-(alphaR)-alpha-(2R)-2-Piperidinyl-2,8-bis(trifluoromethyl)-4-quinolinemethanol
CID 3000516
1-[2,8-Bis(trifluoromethyl)-4-quinolyl]-2-(dipropylamino)ethanol
CID 432292
2-{4-[2-(Trifluoromethyl)quinolin-4-yl]piperazino}ethan-1-ol
CID 2823494
(-)-threo-Mefloquine
CID 3000506
2-((1,2,3,4-Tetrahydroacridin-9-yl)amino)ethanol
CID 661266
4-(4-Morpholinyl)-2-phenylquinoline
CID 227776
(AS)-rel-a-(2R)-2-Piperidinyl-2,8-bis(trifluoromethyl)-4-quinolinemethanol monohydrochloride
CID 441362
1-[(2-Phenylquinolin-4-yl)amino]propan-2-ol
CID 18432978

Frequently Asked Questions

What is the IUPAC name of 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]piperidin-3-ol?
The IUPAC name of 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]piperidin-3-ol (CID 24788547) is 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]piperidin-3-ol.
What is the SMILES notation for 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]piperidin-3-ol?
The canonical SMILES for 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]piperidin-3-ol is OC1CCCN(c2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)C1.
What is the InChIKey of 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]piperidin-3-ol?
The InChIKey is OUJJSWIIFQTAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F6N2O/c17-15(18,19)11-5-1-4-10-12(24-6-2-3-9(25)8-24)7-13(16(20,21)22)23-14(10)11/h1,4-5,7,9,25H,2-3,6,8H2.
What are the key properties of 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]piperidin-3-ol?
1-[2,8-bis(trifluoromethyl)quinolin-4-yl]piperidin-3-ol has a molecular weight of 364.29 g/mol, XLogP of 4.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]piperidin-3-ol is sourced from PubChem (CID 24788547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).