1-(6-fluoroquinolin-4-yl)piperidine-2-carboxylic acid

C15H15FN2O2 — CID 71563717

IUPAC1-(6-fluoroquinolin-4-yl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1c1ccnc2ccc(F)cc12
InChIInChI=1S/C15H15FN2O2/c16-10-4-5-12-11(9-10)13(6-7-17-12)18-8-2-1-3-14(18)15(19)20/h4-7,9,14H,1-3,8H2,(H,19,20)
InChIKeyNPWPCHPOPYSJLX-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.82
Rot. Bonds2

About 1-(6-fluoroquinolin-4-yl)piperidine-2-carboxylic acid

1-(6-fluoroquinolin-4-yl)piperidine-2-carboxylic acid (PubChem CID 71563717) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 1-(6-fluoroquinolin-4-yl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(6-fluoroquinolin-4-yl)piperidine-2-carboxylic acid
PubChem CID71563717
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name1-(6-fluoroquinolin-4-yl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1c1ccnc2ccc(F)cc12
InChIInChI=1S/C15H15FN2O2/c16-10-4-5-12-11(9-10)13(6-7-17-12)18-8-2-1-3-14(18)15(19)20/h4-7,9,14H,1-3,8H2,(H,19,20)
InChIKeyNPWPCHPOPYSJLX-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 ≤ 500274.30
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-4-piperidin-1-ylquinoline
CID 142561442
azepan-1-yl-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]methanone
CID 91952386
1-(8-fluoroquinolin-4-yl)piperidine-2-carboxylic acid
CID 71563719
1-(2,4-difluorophenyl)pyrrolidine-2-carboxylic acid
CID 82538014
(2S)-1-(7-bromoquinolin-4-yl)pyrrolidine-2-carboxylic acid
CID 122059764
1-(7-bromoquinolin-4-yl)pyrrolidine-2-carboxylic acid
CID 122058852
2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]acetic acid
CID 121318145
1-(1-quinolin-4-ylpiperidin-2-yl)ethanone
CID 55258345
(2R)-1-(1,5-naphthyridin-4-yl)pyrrolidine-2-carboxylic acid
CID 122051669
(2S)-1-(8-chloroquinolin-4-yl)pyrrolidine-2-carboxylic acid
CID 122059656
3,4-dihydro-1H-isoquinolin-2-yl-[1-(6-fluoroquinolin-4-yl)piperidin-3-yl]methanone
CID 91952255
(3R)-1-(6-fluoroquinolin-4-yl)pyrrolidin-3-amine
CID 66954813

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoroquinolin-4-yl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(6-fluoroquinolin-4-yl)piperidine-2-carboxylic acid (CID 71563717) is 1-(6-fluoroquinolin-4-yl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(6-fluoroquinolin-4-yl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(6-fluoroquinolin-4-yl)piperidine-2-carboxylic acid is O=C(O)C1CCCCN1c1ccnc2ccc(F)cc12.
What is the InChIKey of 1-(6-fluoroquinolin-4-yl)piperidine-2-carboxylic acid?
The InChIKey is NPWPCHPOPYSJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c16-10-4-5-12-11(9-10)13(6-7-17-12)18-8-2-1-3-14(18)15(19)20/h4-7,9,14H,1-3,8H2,(H,19,20).
What are the key properties of 1-(6-fluoroquinolin-4-yl)piperidine-2-carboxylic acid?
1-(6-fluoroquinolin-4-yl)piperidine-2-carboxylic acid has a molecular weight of 274.30 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-(6-fluoroquinolin-4-yl)piperidine-2-carboxylic acid is sourced from PubChem (CID 71563717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).