3-fluoro-2-[methyl-(1-methylpiperidin-4-yl)amino]benzoic acid

C14H19FN2O2 — CID 55101334

IUPAC3-fluoro-2-[methyl-(1-methylpiperidin-4-yl)amino]benzoic acid
SMILESCN1CCC(N(C)c2c(F)cccc2C(=O)O)CC1
InChIInChI=1S/C14H19FN2O2/c1-16-8-6-10(7-9-16)17(2)13-11(14(18)19)4-3-5-12(13)15/h3-5,10H,6-9H2,1-2H3,(H,18,19)
InChIKeyRLFLZBRFDKBPKE-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.05
Rot. Bonds3

About 3-fluoro-2-[methyl-(1-methylpiperidin-4-yl)amino]benzoic acid

3-fluoro-2-[methyl-(1-methylpiperidin-4-yl)amino]benzoic acid (PubChem CID 55101334) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 3-fluoro-2-[methyl-(1-methylpiperidin-4-yl)amino]benzoic acid.

Molecular Properties

Compound Name3-fluoro-2-[methyl-(1-methylpiperidin-4-yl)amino]benzoic acid
PubChem CID55101334
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name3-fluoro-2-[methyl-(1-methylpiperidin-4-yl)amino]benzoic acid
SMILESCN1CCC(N(C)c2c(F)cccc2C(=O)O)CC1
InChIInChI=1S/C14H19FN2O2/c1-16-8-6-10(7-9-16)17(2)13-11(14(18)19)4-3-5-12(13)15/h3-5,10H,6-9H2,1-2H3,(H,18,19)
InChIKeyRLFLZBRFDKBPKE-UHFFFAOYSA-N
XLogP2.05
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(dimethylamino)pyrrolidin-1-yl]-3-fluorobenzoic acid
CID 63537032
2-[butan-2-yl(methyl)amino]-3-fluorobenzoic acid
CID 62649994
4-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]benzoic acid
CID 55181948
3-tert-butyl-2-[(1-methylpiperidin-4-yl)-(2,2,2-trifluoroacetyl)amino]benzoic acid
CID 139368405
2-[methyl(oxan-4-yl)amino]-3-nitrobenzoic acid
CID 115932196
2,6-difluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 5184703
3-fluoro-2-[methyl(oxan-2-ylmethyl)amino]benzoic acid
CID 62648696
3,4-difluoro-2-N-methyl-2-N-(1-methylpiperidin-4-yl)benzene-1,2-diamine
CID 62531948
2-chloro-6-fluoro-N-[3-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride
CID 66939187
2-(3-fluorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]acetic acid
CID 84747278
2-[3-[methyl-(1-methylpiperidin-4-yl)amino]propoxy]benzoic acid
CID 22683833
2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfinamide
CID 167963266

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[methyl-(1-methylpiperidin-4-yl)amino]benzoic acid?
The IUPAC name of 3-fluoro-2-[methyl-(1-methylpiperidin-4-yl)amino]benzoic acid (CID 55101334) is 3-fluoro-2-[methyl-(1-methylpiperidin-4-yl)amino]benzoic acid.
What is the SMILES notation for 3-fluoro-2-[methyl-(1-methylpiperidin-4-yl)amino]benzoic acid?
The canonical SMILES for 3-fluoro-2-[methyl-(1-methylpiperidin-4-yl)amino]benzoic acid is CN1CCC(N(C)c2c(F)cccc2C(=O)O)CC1.
What is the InChIKey of 3-fluoro-2-[methyl-(1-methylpiperidin-4-yl)amino]benzoic acid?
The InChIKey is RLFLZBRFDKBPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-16-8-6-10(7-9-16)17(2)13-11(14(18)19)4-3-5-12(13)15/h3-5,10H,6-9H2,1-2H3,(H,18,19).
What are the key properties of 3-fluoro-2-[methyl-(1-methylpiperidin-4-yl)amino]benzoic acid?
3-fluoro-2-[methyl-(1-methylpiperidin-4-yl)amino]benzoic acid has a molecular weight of 266.32 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[methyl-(1-methylpiperidin-4-yl)amino]benzoic acid is sourced from PubChem (CID 55101334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).