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

C14H18FNO3 — CID 65469618

IUPAC3-fluoro-4-[(1-methylpiperidin-2-yl)methoxy]benzoic acid
SMILESCN1CCCCC1COc1ccc(C(=O)O)cc1F
InChIInChI=1S/C14H18FNO3/c1-16-7-3-2-4-11(16)9-19-13-6-5-10(14(17)18)8-12(13)15/h5-6,8,11H,2-4,7,9H2,1H3,(H,17,18)
InChIKeyUASDPQGBYZZXKD-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.39
Rot. Bonds4

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

3-fluoro-4-[(1-methylpiperidin-2-yl)methoxy]benzoic acid (PubChem CID 65469618) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 3-fluoro-4-[(1-methylpiperidin-2-yl)methoxy]benzoic acid.

Molecular Properties

Compound Name3-fluoro-4-[(1-methylpiperidin-2-yl)methoxy]benzoic acid
PubChem CID65469618
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name3-fluoro-4-[(1-methylpiperidin-2-yl)methoxy]benzoic acid
SMILESCN1CCCCC1COc1ccc(C(=O)O)cc1F
InChIInChI=1S/C14H18FNO3/c1-16-7-3-2-4-11(16)9-19-13-6-5-10(14(17)18)8-12(13)15/h5-6,8,11H,2-4,7,9H2,1H3,(H,17,18)
InChIKeyUASDPQGBYZZXKD-UHFFFAOYSA-N
XLogP2.39
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(1-methylpiperidin-2-yl)methoxy]pyridine-3-carboxylic acid
CID 65471120
3-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]benzenecarbothioamide
CID 107912273
3-fluoro-N'-hydroxy-4-[2-(1-methylpiperidin-2-yl)ethoxy]benzenecarboximidamide
CID 107912481
4-[(1-methylpiperidin-2-yl)methoxy]pyridine-3-carboxylic acid
CID 81225049
3-bromo-4-[(1-methylpiperidin-2-yl)methoxy]benzenecarbothioamide
CID 82805149
3-fluoro-4-(2-methoxyethoxy)benzoic acid
CID 28604965
3-fluoro-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]benzoic acid
CID 107689861
5-[(1-methylpiperidin-2-yl)methoxy]furan-2-carboxylic acid
CID 65472829
2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]benzoic acid
CID 170367933
methyl 4-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]benzoate
CID 58575050
2-chloro-6-[(1-methylpiperidin-2-yl)methoxy]pyridine-4-carboxylic acid
CID 65472831
5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]aniline
CID 65472061

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(1-methylpiperidin-2-yl)methoxy]benzoic acid?
The IUPAC name of 3-fluoro-4-[(1-methylpiperidin-2-yl)methoxy]benzoic acid (CID 65469618) is 3-fluoro-4-[(1-methylpiperidin-2-yl)methoxy]benzoic acid.
What is the SMILES notation for 3-fluoro-4-[(1-methylpiperidin-2-yl)methoxy]benzoic acid?
The canonical SMILES for 3-fluoro-4-[(1-methylpiperidin-2-yl)methoxy]benzoic acid is CN1CCCCC1COc1ccc(C(=O)O)cc1F.
What is the InChIKey of 3-fluoro-4-[(1-methylpiperidin-2-yl)methoxy]benzoic acid?
The InChIKey is UASDPQGBYZZXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-16-7-3-2-4-11(16)9-19-13-6-5-10(14(17)18)8-12(13)15/h5-6,8,11H,2-4,7,9H2,1H3,(H,17,18).
What are the key properties of 3-fluoro-4-[(1-methylpiperidin-2-yl)methoxy]benzoic acid?
3-fluoro-4-[(1-methylpiperidin-2-yl)methoxy]benzoic acid has a molecular weight of 267.30 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(1-methylpiperidin-2-yl)methoxy]benzoic acid is sourced from PubChem (CID 65469618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).