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

C18H21F3N2O — CID 90669110

IUPAC1-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol
SMILESCc1ccc2nc(C(F)(F)F)cc(C(O)CC3CCCCN3)c2c1
InChIInChI=1S/C18H21F3N2O/c1-11-5-6-15-13(8-11)14(10-17(23-15)18(19,20)21)16(24)9-12-4-2-3-7-22-12/h5-6,8,10,12,16,22,24H,2-4,7,9H2,1H3
InChIKeyAEUYRDUBSFOYNV-UHFFFAOYSA-N
MW338.37 g/mol
LogP4.13
Rot. Bonds3

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

1-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol (PubChem CID 90669110) has the molecular formula C18H21F3N2O and a molecular weight of 338.37 g/mol. Its IUPAC name is 1-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol.

Molecular Properties

Compound Name1-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol
PubChem CID90669110
Molecular FormulaC18H21F3N2O
Molecular Weight338.37 g/mol
Exact Mass338.16
IUPAC Name1-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol
SMILESCc1ccc2nc(C(F)(F)F)cc(C(O)CC3CCCCN3)c2c1
InChIInChI=1S/C18H21F3N2O/c1-11-5-6-15-13(8-11)14(10-17(23-15)18(19,20)21)16(24)9-12-4-2-3-7-22-12/h5-6,8,10,12,16,22,24H,2-4,7,9H2,1H3
InChIKeyAEUYRDUBSFOYNV-UHFFFAOYSA-N
XLogP4.13
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol?
The IUPAC name of 1-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol (CID 90669110) is 1-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol.
What is the SMILES notation for 1-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol?
The canonical SMILES for 1-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol is Cc1ccc2nc(C(F)(F)F)cc(C(O)CC3CCCCN3)c2c1.
What is the InChIKey of 1-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol?
The InChIKey is AEUYRDUBSFOYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2O/c1-11-5-6-15-13(8-11)14(10-17(23-15)18(19,20)21)16(24)9-12-4-2-3-7-22-12/h5-6,8,10,12,16,22,24H,2-4,7,9H2,1H3.
What are the key properties of 1-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol?
1-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol has a molecular weight of 338.37 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol is sourced from PubChem (CID 90669110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).