3-methoxy-2-(3-methylpiperidin-3-yl)oxybenzoic acid

C14H19NO4 — CID 117054046

IUPAC3-methoxy-2-(3-methylpiperidin-3-yl)oxybenzoic acid
SMILESCOc1cccc(C(=O)O)c1OC1(C)CCCNC1
InChIInChI=1S/C14H19NO4/c1-14(7-4-8-15-9-14)19-12-10(13(16)17)5-3-6-11(12)18-2/h3,5-6,15H,4,7-9H2,1-2H3,(H,16,17)
InChIKeyITKVODDPGPIQTO-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.91
Rot. Bonds4

About 3-methoxy-2-(3-methylpiperidin-3-yl)oxybenzoic acid

3-methoxy-2-(3-methylpiperidin-3-yl)oxybenzoic acid (PubChem CID 117054046) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-methoxy-2-(3-methylpiperidin-3-yl)oxybenzoic acid.

Molecular Properties

Compound Name3-methoxy-2-(3-methylpiperidin-3-yl)oxybenzoic acid
PubChem CID117054046
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name3-methoxy-2-(3-methylpiperidin-3-yl)oxybenzoic acid
SMILESCOc1cccc(C(=O)O)c1OC1(C)CCCNC1
InChIInChI=1S/C14H19NO4/c1-14(7-4-8-15-9-14)19-12-10(13(16)17)5-3-6-11(12)18-2/h3,5-6,15H,4,7-9H2,1-2H3,(H,16,17)
InChIKeyITKVODDPGPIQTO-UHFFFAOYSA-N
XLogP1.91
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-2-(1-methylcyclopentyl)oxybenzoic acid
CID 117054021
2-(3-methylpiperidin-3-yl)oxybenzoic acid
CID 117053969
1-[2-(1,4-dimethylpiperidin-4-yl)oxy-3-methoxyphenyl]ethanone
CID 117052386
2,3-dimethoxybenzoic acid;platinum;hydrate
CID 174478854
N-[(3-hydroxypyrrolidin-3-yl)methyl]-2,3-dimethoxy-N-methylbenzamide
CID 114760377
2-(1-methylcyclohexyl)oxycarbonylbenzoic acid
CID 11747408
3-[(2-fluoro-3-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 104792796
2-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methoxybenzoic acid
CID 116520653
2-(2-hydroxypropanoyloxy)-3-methoxybenzoic acid
CID 117054066
calcium bis(2-carboxy-6-methoxyphenolate)
CID 158722601
N-[(2,3-dimethoxyphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 63140447
2-methoxy-3-(2-methoxyphenyl)benzoic acid
CID 53225402

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(3-methylpiperidin-3-yl)oxybenzoic acid?
The IUPAC name of 3-methoxy-2-(3-methylpiperidin-3-yl)oxybenzoic acid (CID 117054046) is 3-methoxy-2-(3-methylpiperidin-3-yl)oxybenzoic acid.
What is the SMILES notation for 3-methoxy-2-(3-methylpiperidin-3-yl)oxybenzoic acid?
The canonical SMILES for 3-methoxy-2-(3-methylpiperidin-3-yl)oxybenzoic acid is COc1cccc(C(=O)O)c1OC1(C)CCCNC1.
What is the InChIKey of 3-methoxy-2-(3-methylpiperidin-3-yl)oxybenzoic acid?
The InChIKey is ITKVODDPGPIQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-14(7-4-8-15-9-14)19-12-10(13(16)17)5-3-6-11(12)18-2/h3,5-6,15H,4,7-9H2,1-2H3,(H,16,17).
What are the key properties of 3-methoxy-2-(3-methylpiperidin-3-yl)oxybenzoic acid?
3-methoxy-2-(3-methylpiperidin-3-yl)oxybenzoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(3-methylpiperidin-3-yl)oxybenzoic acid is sourced from PubChem (CID 117054046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).