1-(8-fluoroquinolin-4-yl)piperidine-2-carboxylic acid

C15H15FN2O2 — CID 71563719

IUPAC1-(8-fluoroquinolin-4-yl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1c1ccnc2c(F)cccc12
InChIInChI=1S/C15H15FN2O2/c16-11-5-3-4-10-12(7-8-17-14(10)11)18-9-2-1-6-13(18)15(19)20/h3-5,7-8,13H,1-2,6,9H2,(H,19,20)
InChIKeyGBVQADGUDKZXHY-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.82
Rot. Bonds2

About 1-(8-fluoroquinolin-4-yl)piperidine-2-carboxylic acid

1-(8-fluoroquinolin-4-yl)piperidine-2-carboxylic acid (PubChem CID 71563719) has the molecular formula C15H15FN2O2 and a molecular weight of 274.29 g/mol. Its IUPAC name is 1-(8-fluoroquinolin-4-yl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(8-fluoroquinolin-4-yl)piperidine-2-carboxylic acid
PubChem CID71563719
Molecular FormulaC15H15FN2O2
Molecular Weight274.29 g/mol
Exact Mass274.11
IUPAC Name1-(8-fluoroquinolin-4-yl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1c1ccnc2c(F)cccc12
InChIInChI=1S/C15H15FN2O2/c16-11-5-3-4-10-12(7-8-17-14(10)11)18-9-2-1-6-13(18)15(19)20/h3-5,7-8,13H,1-2,6,9H2,(H,19,20)
InChIKeyGBVQADGUDKZXHY-UHFFFAOYSA-N
XLogP2.82
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(8-chloroquinolin-4-yl)pyrrolidine-2-carboxylic acid
CID 122059656
1-(8-fluoroquinolin-4-yl)piperidine-4-carboxylic acid
CID 71563709
(2S)-1-(8-methoxyquinolin-4-yl)pyrrolidine-2-carboxylic acid
CID 122059647
1-(6-fluoroquinolin-4-yl)piperidine-2-carboxylic acid
CID 71563717
1-(8-bromo-5-fluoroquinolin-4-yl)pyrrolidine-2-carboxylic acid
CID 122058757
1-(8-aminoquinolin-4-yl)-N-methylpiperidine-2-carboxamide
CID 83065847
(2R)-1-(1,5-naphthyridin-4-yl)pyrrolidine-2-carboxylic acid
CID 122051669
1-(8-nitroquinolin-5-yl)pyrrolidine-2-carboxylic acid
CID 43449364
(2R)-1-(4-fluoro-1,3-benzoxazol-2-yl)pyrrolidine-2-carboxylic acid
CID 122051706
1-(1-quinolin-4-ylpiperidin-2-yl)ethanone
CID 55258345
1-(8-aminoquinolin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 83065677
1-(2-carbamoyl-3-fluorophenyl)pyrrolidine-2-carboxylic acid
CID 79513371

Frequently Asked Questions

What is the IUPAC name of 1-(8-fluoroquinolin-4-yl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(8-fluoroquinolin-4-yl)piperidine-2-carboxylic acid (CID 71563719) is 1-(8-fluoroquinolin-4-yl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(8-fluoroquinolin-4-yl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(8-fluoroquinolin-4-yl)piperidine-2-carboxylic acid is O=C(O)C1CCCCN1c1ccnc2c(F)cccc12.
What is the InChIKey of 1-(8-fluoroquinolin-4-yl)piperidine-2-carboxylic acid?
The InChIKey is GBVQADGUDKZXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c16-11-5-3-4-10-12(7-8-17-14(10)11)18-9-2-1-6-13(18)15(19)20/h3-5,7-8,13H,1-2,6,9H2,(H,19,20).
What are the key properties of 1-(8-fluoroquinolin-4-yl)piperidine-2-carboxylic acid?
1-(8-fluoroquinolin-4-yl)piperidine-2-carboxylic acid has a molecular weight of 274.29 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-fluoroquinolin-4-yl)piperidine-2-carboxylic acid is sourced from PubChem (CID 71563719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).