[2,8-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol

C17H16F6N2O — CID 4046

IUPAC[2,8-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol
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
MW378.32 g/mol
LogP4.45
Rot. Bonds2

About [2,8-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol

[2,8-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol (PubChem CID 4046) has the molecular formula C17H16F6N2O and a molecular weight of 378.32 g/mol. Its IUPAC name is [2,8-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol.

Molecular Properties

Compound Name[2,8-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol
PubChem CID4046
Molecular FormulaC17H16F6N2O
Molecular Weight378.32 g/mol
Exact Mass378.12
IUPAC Name[2,8-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol
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
XLogP4.45
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.32
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2,8-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol 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 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
Vacquinol-1
CID 224644
1-[2,8-Bis(trifluoromethyl)-4-quinolyl]-2-(propylamino)ethanol
CID 432290
Enpiroline
CID 3033333
rel-(alphaR)-alpha-(2R)-2-Piperidinyl-2,8-bis(trifluoromethyl)-4-quinolinemethanol
CID 3000516
Phenyl-[2-(trifluoromethyl)quinolin-4-yl]methanol
CID 18511481
Piperidin-2-yl-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridin-4-yl]methanol
CID 328144

Frequently Asked Questions

What is the IUPAC name of [2,8-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol?
The IUPAC name of [2,8-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol (CID 4046) is [2,8-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol.
What is the SMILES notation for [2,8-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol?
The canonical SMILES for [2,8-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol is OC(c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C1CCCCN1.
What is the InChIKey of [2,8-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol?
The InChIKey is XEEQGYMUWCZPDN-UHFFFAOYSA-N. The full InChI is 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.
What are the key properties of [2,8-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol?
[2,8-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol has a molecular weight of 378.32 g/mol, XLogP of 4.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,8-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol is sourced from PubChem (CID 4046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).