3-fluoro-5-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid

C15H20FNO3 — CID 106589648

IUPAC3-fluoro-5-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid
SMILESCOCC1CCCN(Cc2cc(F)cc(C(=O)O)c2)C1
InChIInChI=1S/C15H20FNO3/c1-20-10-11-3-2-4-17(8-11)9-12-5-13(15(18)19)7-14(16)6-12/h5-7,11H,2-4,8-10H2,1H3,(H,18,19)
InChIKeyYRMGUEMHKPPFSZ-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.38
Rot. Bonds5

About 3-fluoro-5-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid

3-fluoro-5-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid (PubChem CID 106589648) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 3-fluoro-5-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid.

Molecular Properties

Compound Name3-fluoro-5-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid
PubChem CID106589648
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name3-fluoro-5-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid
SMILESCOCC1CCCN(Cc2cc(F)cc(C(=O)O)c2)C1
InChIInChI=1S/C15H20FNO3/c1-20-10-11-3-2-4-17(8-11)9-12-5-13(15(18)19)7-14(16)6-12/h5-7,11H,2-4,8-10H2,1H3,(H,18,19)
InChIKeyYRMGUEMHKPPFSZ-UHFFFAOYSA-N
XLogP2.38
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-5-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-fluoro-5-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenyl]prop-2-yn-1-ol
CID 106588441
4-methoxy-3-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 106588718
3-fluoro-5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]aniline
CID 112646194
1-(4-fluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone
CID 106587715
2-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-3-yl]acetic acid
CID 79702644
2-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]acetaldehyde
CID 90017877
1-(2,6-difluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone
CID 106587713
3-[(3S)-1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-N-(3,5-dimethoxyphenyl)propanamide
CID 26401672
4-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzonitrile
CID 113235336
2-[4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]acetic acid
CID 105346064
2-[2-chloro-6-methoxy-4-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]phenoxy]acetamide
CID 97159418
5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylic acid
CID 64598988

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid?
The IUPAC name of 3-fluoro-5-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid (CID 106589648) is 3-fluoro-5-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid.
What is the SMILES notation for 3-fluoro-5-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid?
The canonical SMILES for 3-fluoro-5-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid is COCC1CCCN(Cc2cc(F)cc(C(=O)O)c2)C1.
What is the InChIKey of 3-fluoro-5-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid?
The InChIKey is YRMGUEMHKPPFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-20-10-11-3-2-4-17(8-11)9-12-5-13(15(18)19)7-14(16)6-12/h5-7,11H,2-4,8-10H2,1H3,(H,18,19).
What are the key properties of 3-fluoro-5-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid?
3-fluoro-5-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid has a molecular weight of 281.33 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid is sourced from PubChem (CID 106589648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).