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

C15H15FN2O2 — CID 71563709

IUPAC1-(8-fluoroquinolin-4-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2ccnc3c(F)cccc23)CC1
InChIInChI=1S/C15H15FN2O2/c16-12-3-1-2-11-13(4-7-17-14(11)12)18-8-5-10(6-9-18)15(19)20/h1-4,7,10H,5-6,8-9H2,(H,19,20)
InChIKeyOFXWRBXSYRABGA-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.67
Rot. Bonds2

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

1-(8-fluoroquinolin-4-yl)piperidine-4-carboxylic acid (PubChem CID 71563709) has the molecular formula C15H15FN2O2 and a molecular weight of 274.29 g/mol. Its IUPAC name is 1-(8-fluoroquinolin-4-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(8-fluoroquinolin-4-yl)piperidine-4-carboxylic acid
PubChem CID71563709
Molecular FormulaC15H15FN2O2
Molecular Weight274.29 g/mol
Exact Mass274.11
IUPAC Name1-(8-fluoroquinolin-4-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2ccnc3c(F)cccc23)CC1
InChIInChI=1S/C15H15FN2O2/c16-12-3-1-2-11-13(4-7-17-14(11)12)18-8-5-10(6-9-18)15(19)20/h1-4,7,10H,5-6,8-9H2,(H,19,20)
InChIKeyOFXWRBXSYRABGA-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 ≤ 500274.29
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(8-fluoroquinolin-4-yl)piperidine-2-carboxylic acid
CID 71563719
1-(6-chloroquinolin-4-yl)piperidine-4-carboxylic acid
CID 71563708
1-(8-bromoquinolin-4-yl)pyrrolidine-3-carboxamide
CID 133283487
1-(4-fluoro-1,3-benzoxazol-2-yl)piperidine-4-carboxylic acid
CID 122047375
1-(8-fluoro-2-phenylquinolin-4-yl)piperidine-4-carboxamide
CID 70458673
(2S)-4-(8-fluoroquinolin-4-yl)-2-[(2R)-oxolan-2-yl]morpholine
CID 129433208
(2R)-4-(8-fluoroquinolin-4-yl)-2-[(2S)-oxolan-2-yl]morpholine
CID 99858863
1-(1-quinolin-4-ylpiperidin-4-yl)ethanone
CID 63845490
2-[[1-(8-chloroquinolin-4-yl)azepan-4-yl]-methylamino]acetic acid
CID 122062362
8-fluoro-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]quinoline
CID 99793011
1-(6,7-dimethoxyquinolin-4-yl)piperidine-4-carboxylic acid
CID 155125461
(2S)-1-(8-chloroquinolin-4-yl)pyrrolidine-2-carboxylic acid
CID 122059656

Frequently Asked Questions

What is the IUPAC name of 1-(8-fluoroquinolin-4-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(8-fluoroquinolin-4-yl)piperidine-4-carboxylic acid (CID 71563709) is 1-(8-fluoroquinolin-4-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(8-fluoroquinolin-4-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(8-fluoroquinolin-4-yl)piperidine-4-carboxylic acid is O=C(O)C1CCN(c2ccnc3c(F)cccc23)CC1.
What is the InChIKey of 1-(8-fluoroquinolin-4-yl)piperidine-4-carboxylic acid?
The InChIKey is OFXWRBXSYRABGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c16-12-3-1-2-11-13(4-7-17-14(11)12)18-8-5-10(6-9-18)15(19)20/h1-4,7,10H,5-6,8-9H2,(H,19,20).
What are the key properties of 1-(8-fluoroquinolin-4-yl)piperidine-4-carboxylic acid?
1-(8-fluoroquinolin-4-yl)piperidine-4-carboxylic acid has a molecular weight of 274.29 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-(8-fluoroquinolin-4-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 71563709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).