2-fluoro-6-(2-piperidin-1-ylpropylamino)benzoic acid

C15H21FN2O2 — CID 79522274

IUPAC2-fluoro-6-(2-piperidin-1-ylpropylamino)benzoic acid
SMILESCC(CNc1cccc(F)c1C(=O)O)N1CCCCC1
InChIInChI=1S/C15H21FN2O2/c1-11(18-8-3-2-4-9-18)10-17-13-7-5-6-12(16)14(13)15(19)20/h5-7,11,17H,2-4,8-10H2,1H3,(H,19,20)
InChIKeyMVXLPMOQAZVFEE-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.81
Rot. Bonds5

About 2-fluoro-6-(2-piperidin-1-ylpropylamino)benzoic acid

2-fluoro-6-(2-piperidin-1-ylpropylamino)benzoic acid (PubChem CID 79522274) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 2-fluoro-6-(2-piperidin-1-ylpropylamino)benzoic acid.

Molecular Properties

Compound Name2-fluoro-6-(2-piperidin-1-ylpropylamino)benzoic acid
PubChem CID79522274
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name2-fluoro-6-(2-piperidin-1-ylpropylamino)benzoic acid
SMILESCC(CNc1cccc(F)c1C(=O)O)N1CCCCC1
InChIInChI=1S/C15H21FN2O2/c1-11(18-8-3-2-4-9-18)10-17-13-7-5-6-12(16)14(13)15(19)20/h5-7,11,17H,2-4,8-10H2,1H3,(H,19,20)
InChIKeyMVXLPMOQAZVFEE-UHFFFAOYSA-N
XLogP2.81
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(dimethylamino)propylamino]-6-fluorobenzoic acid
CID 79522672
2-fluoro-6-hydroxy-N-(2-piperidin-1-ylpropyl)benzamide
CID 104916991
2,3-difluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 78918066
2-fluoro-6-(prop-2-ynylamino)benzoic acid
CID 79522669
2-bromo-3-fluoro-4-(2-pyrrolidin-1-ylpropylamino)benzoic acid
CID 107540424
2-fluoro-6-(propylamino)benzoic acid
CID 79522268
4-methyl-2-(2-piperidin-1-ylpropylamino)benzoic acid
CID 62710645
N-[2-(azocan-1-yl)propyl]aniline
CID 62558695
3-(2-pyrrolidin-1-ylpropylamino)benzoic acid
CID 102823229
3-fluoro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
CID 55111712
2-fluoro-3-methyl-N-(2-piperidin-1-ylpropyl)benzamide
CID 80718351
2-nitro-N-(2-piperidin-1-ylpropyl)aniline
CID 61018070

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(2-piperidin-1-ylpropylamino)benzoic acid?
The IUPAC name of 2-fluoro-6-(2-piperidin-1-ylpropylamino)benzoic acid (CID 79522274) is 2-fluoro-6-(2-piperidin-1-ylpropylamino)benzoic acid.
What is the SMILES notation for 2-fluoro-6-(2-piperidin-1-ylpropylamino)benzoic acid?
The canonical SMILES for 2-fluoro-6-(2-piperidin-1-ylpropylamino)benzoic acid is CC(CNc1cccc(F)c1C(=O)O)N1CCCCC1.
What is the InChIKey of 2-fluoro-6-(2-piperidin-1-ylpropylamino)benzoic acid?
The InChIKey is MVXLPMOQAZVFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-11(18-8-3-2-4-9-18)10-17-13-7-5-6-12(16)14(13)15(19)20/h5-7,11,17H,2-4,8-10H2,1H3,(H,19,20).
What are the key properties of 2-fluoro-6-(2-piperidin-1-ylpropylamino)benzoic acid?
2-fluoro-6-(2-piperidin-1-ylpropylamino)benzoic acid has a molecular weight of 280.34 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(2-piperidin-1-ylpropylamino)benzoic acid is sourced from PubChem (CID 79522274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).