2-fluoro-4-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]benzoic acid

C15H18FNO4 — CID 107675285

IUPAC2-fluoro-4-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]benzoic acid
SMILESCC1CCCCN1C(=O)COc1ccc(C(=O)O)c(F)c1
InChIInChI=1S/C15H18FNO4/c1-10-4-2-3-7-17(10)14(18)9-21-11-5-6-12(15(19)20)13(16)8-11/h5-6,8,10H,2-4,7,9H2,1H3,(H,19,20)
InChIKeyOWGYFVOCUDCAER-UHFFFAOYSA-N
MW295.31 g/mol
LogP2.30
Rot. Bonds4

About 2-fluoro-4-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]benzoic acid

2-fluoro-4-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]benzoic acid (PubChem CID 107675285) has the molecular formula C15H18FNO4 and a molecular weight of 295.31 g/mol. Its IUPAC name is 2-fluoro-4-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]benzoic acid
PubChem CID107675285
Molecular FormulaC15H18FNO4
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Name2-fluoro-4-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]benzoic acid
SMILESCC1CCCCN1C(=O)COc1ccc(C(=O)O)c(F)c1
InChIInChI=1S/C15H18FNO4/c1-10-4-2-3-7-17(10)14(18)9-21-11-5-6-12(15(19)20)13(16)8-11/h5-6,8,10H,2-4,7,9H2,1H3,(H,19,20)
InChIKeyOWGYFVOCUDCAER-UHFFFAOYSA-N
XLogP2.30
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenoxy)-1-(2-methylpiperidin-1-yl)ethanone
CID 4541588
2-(4-acetyl-3-fluorophenoxy)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 95316685
4-chloro-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]benzamide
CID 94813801
2-[3-(methylaminomethyl)phenoxy]-1-(2-methylpiperidin-1-yl)ethanone
CID 106486108
4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]benzenesulfonamide
CID 94172220
2-(2-chloro-4-fluorophenoxy)-1-(2-methylpiperidin-1-yl)ethanone
CID 78767331
2-(2-bromo-4-fluorophenoxy)-1-(2-methylpiperidin-1-yl)ethanone
CID 78767008
(2-fluoro-4-methoxyphenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 103709651
2-(2,4-dichlorophenoxy)-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 1103949
2-(2-fluoro-6-methoxyphenoxy)-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 99634908
1-(2-methylpiperidin-1-yl)-2-(2,4,6-trimethylphenoxy)ethanone
CID 112787708
7-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one
CID 7641888

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]benzoic acid?
The IUPAC name of 2-fluoro-4-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]benzoic acid (CID 107675285) is 2-fluoro-4-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]benzoic acid.
What is the SMILES notation for 2-fluoro-4-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]benzoic acid?
The canonical SMILES for 2-fluoro-4-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]benzoic acid is CC1CCCCN1C(=O)COc1ccc(C(=O)O)c(F)c1.
What is the InChIKey of 2-fluoro-4-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]benzoic acid?
The InChIKey is OWGYFVOCUDCAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO4/c1-10-4-2-3-7-17(10)14(18)9-21-11-5-6-12(15(19)20)13(16)8-11/h5-6,8,10H,2-4,7,9H2,1H3,(H,19,20).
What are the key properties of 2-fluoro-4-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]benzoic acid?
2-fluoro-4-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]benzoic acid has a molecular weight of 295.31 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]benzoic acid is sourced from PubChem (CID 107675285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).