4-(2,3-dimethylpiperidin-1-yl)-2-fluorobenzoic acid

C14H18FNO2 — CID 115485324

IUPAC4-(2,3-dimethylpiperidin-1-yl)-2-fluorobenzoic acid
SMILESCC1CCCN(c2ccc(C(=O)O)c(F)c2)C1C
InChIInChI=1S/C14H18FNO2/c1-9-4-3-7-16(10(9)2)11-5-6-12(14(17)18)13(15)8-11/h5-6,8-10H,3-4,7H2,1-2H3,(H,17,18)
InChIKeyOALMTYZJMZLSJY-UHFFFAOYSA-N
MW251.30 g/mol
LogP3.15
Rot. Bonds2

About 4-(2,3-dimethylpiperidin-1-yl)-2-fluorobenzoic acid

4-(2,3-dimethylpiperidin-1-yl)-2-fluorobenzoic acid (PubChem CID 115485324) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 4-(2,3-dimethylpiperidin-1-yl)-2-fluorobenzoic acid.

Molecular Properties

Compound Name4-(2,3-dimethylpiperidin-1-yl)-2-fluorobenzoic acid
PubChem CID115485324
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name4-(2,3-dimethylpiperidin-1-yl)-2-fluorobenzoic acid
SMILESCC1CCCN(c2ccc(C(=O)O)c(F)c2)C1C
InChIInChI=1S/C14H18FNO2/c1-9-4-3-7-16(10(9)2)11-5-6-12(14(17)18)13(15)8-11/h5-6,8-10H,3-4,7H2,1-2H3,(H,17,18)
InChIKeyOALMTYZJMZLSJY-UHFFFAOYSA-N
XLogP3.15
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2,3-dimethylpiperidin-1-yl)-2-nitrophenyl]ethanone
CID 104529643
2-fluoro-4-[(2S)-2-methylpiperazin-1-yl]benzoic acid
CID 99909361
2-(2,3-dimethylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79876369
2-(2,3-dimethylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 62125386
3-[4-(2,3-dimethylpiperidin-1-yl)-3,5-difluorophenyl]prop-2-enoic acid
CID 76983668
1-[4-(chloromethyl)phenyl]-2,3-dimethylpiperidine
CID 62123401
2-methyl-5-(2-methylpyrrolidin-1-yl)benzoic acid
CID 79679880
(1R)-1-[4-(2,3-dimethylpiperidin-1-yl)phenyl]ethanol
CID 78940969
2-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzoic acid
CID 113319880
2-(1-aminoethyl)-5-(2,3-dimethylpiperidin-1-yl)phenol
CID 79603304
2-(difluoromethoxy)-4-(2,3-dimethylpiperidin-1-yl)aniline
CID 165477384
4-(2,3-dimethylpiperidin-1-yl)-3-fluoroaniline
CID 62124073

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylpiperidin-1-yl)-2-fluorobenzoic acid?
The IUPAC name of 4-(2,3-dimethylpiperidin-1-yl)-2-fluorobenzoic acid (CID 115485324) is 4-(2,3-dimethylpiperidin-1-yl)-2-fluorobenzoic acid.
What is the SMILES notation for 4-(2,3-dimethylpiperidin-1-yl)-2-fluorobenzoic acid?
The canonical SMILES for 4-(2,3-dimethylpiperidin-1-yl)-2-fluorobenzoic acid is CC1CCCN(c2ccc(C(=O)O)c(F)c2)C1C.
What is the InChIKey of 4-(2,3-dimethylpiperidin-1-yl)-2-fluorobenzoic acid?
The InChIKey is OALMTYZJMZLSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-9-4-3-7-16(10(9)2)11-5-6-12(14(17)18)13(15)8-11/h5-6,8-10H,3-4,7H2,1-2H3,(H,17,18).
What are the key properties of 4-(2,3-dimethylpiperidin-1-yl)-2-fluorobenzoic acid?
4-(2,3-dimethylpiperidin-1-yl)-2-fluorobenzoic acid has a molecular weight of 251.30 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylpiperidin-1-yl)-2-fluorobenzoic acid is sourced from PubChem (CID 115485324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).