1-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]piperidine-4-carboxylic acid

C17H17F3N2O2 — CID 2823590

IUPAC1-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]piperidine-4-carboxylic acid
SMILESCc1ccc2nc(C(F)(F)F)cc(N3CCC(C(=O)O)CC3)c2c1
InChIInChI=1S/C17H17F3N2O2/c1-10-2-3-13-12(8-10)14(9-15(21-13)17(18,19)20)22-6-4-11(5-7-22)16(23)24/h2-3,8-9,11H,4-7H2,1H3,(H,23,24)
InChIKeyFGKADKFNTDBPEL-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.86
Rot. Bonds2

About 1-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]piperidine-4-carboxylic acid

1-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]piperidine-4-carboxylic acid (PubChem CID 2823590) has the molecular formula C17H17F3N2O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is 1-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]piperidine-4-carboxylic acid
PubChem CID2823590
Molecular FormulaC17H17F3N2O2
Molecular Weight338.33 g/mol
Exact Mass338.12
IUPAC Name1-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]piperidine-4-carboxylic acid
SMILESCc1ccc2nc(C(F)(F)F)cc(N3CCC(C(=O)O)CC3)c2c1
InChIInChI=1S/C17H17F3N2O2/c1-10-2-3-13-12(8-10)14(9-15(21-13)17(18,19)20)22-6-4-11(5-7-22)16(23)24/h2-3,8-9,11H,4-7H2,1H3,(H,23,24)
InChIKeyFGKADKFNTDBPEL-UHFFFAOYSA-N
XLogP3.86
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.86
H-Bond Donors ≤ 51
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]piperidine-4-carboxylic acid?
The IUPAC name of 1-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]piperidine-4-carboxylic acid (CID 2823590) is 1-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]piperidine-4-carboxylic acid is Cc1ccc2nc(C(F)(F)F)cc(N3CCC(C(=O)O)CC3)c2c1.
What is the InChIKey of 1-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]piperidine-4-carboxylic acid?
The InChIKey is FGKADKFNTDBPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2/c1-10-2-3-13-12(8-10)14(9-15(21-13)17(18,19)20)22-6-4-11(5-7-22)16(23)24/h2-3,8-9,11H,4-7H2,1H3,(H,23,24).
What are the key properties of 1-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]piperidine-4-carboxylic acid?
1-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]piperidine-4-carboxylic acid has a molecular weight of 338.33 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 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]piperidine-4-carboxylic acid is sourced from PubChem (CID 2823590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).