1-(7-fluoroquinolin-2-yl)piperidine-4-carboxylic acid

C15H15FN2O2 — CID 122047447

IUPAC1-(7-fluoroquinolin-2-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2ccc3ccc(F)cc3n2)CC1
InChIInChI=1S/C15H15FN2O2/c16-12-3-1-10-2-4-14(17-13(10)9-12)18-7-5-11(6-8-18)15(19)20/h1-4,9,11H,5-8H2,(H,19,20)
InChIKeyCEOVTKYDBSYFIY-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.67
Rot. Bonds2

About 1-(7-fluoroquinolin-2-yl)piperidine-4-carboxylic acid

1-(7-fluoroquinolin-2-yl)piperidine-4-carboxylic acid (PubChem CID 122047447) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 1-(7-fluoroquinolin-2-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(7-fluoroquinolin-2-yl)piperidine-4-carboxylic acid
PubChem CID122047447
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name1-(7-fluoroquinolin-2-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2ccc3ccc(F)cc3n2)CC1
InChIInChI=1S/C15H15FN2O2/c16-12-3-1-10-2-4-14(17-13(10)9-12)18-7-5-11(6-8-18)15(19)20/h1-4,9,11H,5-8H2,(H,19,20)
InChIKeyCEOVTKYDBSYFIY-UHFFFAOYSA-N
XLogP2.67
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoroquinolin-2-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(7-fluoroquinolin-2-yl)piperidine-4-carboxylic acid (CID 122047447) is 1-(7-fluoroquinolin-2-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(7-fluoroquinolin-2-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(7-fluoroquinolin-2-yl)piperidine-4-carboxylic acid is O=C(O)C1CCN(c2ccc3ccc(F)cc3n2)CC1.
What is the InChIKey of 1-(7-fluoroquinolin-2-yl)piperidine-4-carboxylic acid?
The InChIKey is CEOVTKYDBSYFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c16-12-3-1-10-2-4-14(17-13(10)9-12)18-7-5-11(6-8-18)15(19)20/h1-4,9,11H,5-8H2,(H,19,20).
What are the key properties of 1-(7-fluoroquinolin-2-yl)piperidine-4-carboxylic acid?
1-(7-fluoroquinolin-2-yl)piperidine-4-carboxylic acid has a molecular weight of 274.30 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoroquinolin-2-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 122047447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).