1-[2,6-bis(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol

C18H18F6N2O — CID 90669099

IUPAC1-[2,6-bis(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol
SMILESOC(CC1CCCCN1)c1cc(C(F)(F)F)nc2ccc(C(F)(F)F)cc12
InChIInChI=1S/C18H18F6N2O/c19-17(20,21)10-4-5-14-12(7-10)13(9-16(26-14)18(22,23)24)15(27)8-11-3-1-2-6-25-11/h4-5,7,9,11,15,25,27H,1-3,6,8H2
InChIKeyMUNQDNFGCHSYMB-UHFFFAOYSA-N
MW392.34 g/mol
LogP4.84
Rot. Bonds3

About 1-[2,6-bis(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol

1-[2,6-bis(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol (PubChem CID 90669099) has the molecular formula C18H18F6N2O and a molecular weight of 392.34 g/mol. Its IUPAC name is 1-[2,6-bis(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol.

Molecular Properties

Compound Name1-[2,6-bis(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol
PubChem CID90669099
Molecular FormulaC18H18F6N2O
Molecular Weight392.34 g/mol
Exact Mass392.13
IUPAC Name1-[2,6-bis(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol
SMILESOC(CC1CCCCN1)c1cc(C(F)(F)F)nc2ccc(C(F)(F)F)cc12
InChIInChI=1S/C18H18F6N2O/c19-17(20,21)10-4-5-14-12(7-10)13(9-16(26-14)18(22,23)24)15(27)8-11-3-1-2-6-25-11/h4-5,7,9,11,15,25,27H,1-3,6,8H2
InChIKeyMUNQDNFGCHSYMB-UHFFFAOYSA-N
XLogP4.84
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.34
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2,6-bis(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Mefloquine
CID 4046
Mefloquine Hydrochloride
CID 65329
(-)-Mefloquine
CID 40692
(+)-Mefloquine
CID 456309
9-(((2-(Trifluoromethyl)phenyl)methyl)imino)-1,2,3,4,9,10-hexahydroacridin-1-ol
CID 3025624
1-Acridinol, 1,2,3,4-tetrahydro-6-fluoro-9-(((2-(trifluoromethyl)phenyl)methyl)amino)-
CID 3025625
9-(((3-(Trifluoromethyl)phenyl)methyl)imino)-1,2,3,4,9,10-hexahydroacridin-1-ol
CID 3025626
1-Acridinol, 1,2,3,4-tetrahydro-9-(((4-(trifluoromethyl)phenyl)methyl)amino)-
CID 3025627
Vacquinol-1
CID 224644
Piperidin-2-yl-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridin-4-yl]methanol
CID 328144
(AS)-rel-a-(2R)-2-Piperidinyl-2,8-bis(trifluoromethyl)-4-quinolinemethanol monohydrochloride
CID 441362
1-[2,8-Bis(trifluoromethyl)-4-quinolyl]-2-(propylamino)ethanol
CID 432290

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-bis(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol?
The IUPAC name of 1-[2,6-bis(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol (CID 90669099) is 1-[2,6-bis(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol.
What is the SMILES notation for 1-[2,6-bis(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol?
The canonical SMILES for 1-[2,6-bis(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol is OC(CC1CCCCN1)c1cc(C(F)(F)F)nc2ccc(C(F)(F)F)cc12.
What is the InChIKey of 1-[2,6-bis(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol?
The InChIKey is MUNQDNFGCHSYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F6N2O/c19-17(20,21)10-4-5-14-12(7-10)13(9-16(26-14)18(22,23)24)15(27)8-11-3-1-2-6-25-11/h4-5,7,9,11,15,25,27H,1-3,6,8H2.
What are the key properties of 1-[2,6-bis(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol?
1-[2,6-bis(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol has a molecular weight of 392.34 g/mol, XLogP of 4.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-bis(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol is sourced from PubChem (CID 90669099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).