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

C14H19NO3 — CID 20986481

IUPAC2-[(2-methylpiperidin-1-yl)methoxy]benzoic acid
SMILESCC1CCCCN1COc1ccccc1C(=O)O
InChIInChI=1S/C14H19NO3/c1-11-6-4-5-9-15(11)10-18-13-8-3-2-7-12(13)14(16)17/h2-3,7-8,11H,4-6,9-10H2,1H3,(H,16,17)
InChIKeySWQXMJALGTVWPI-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.60
Rot. Bonds4

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

2-[(2-methylpiperidin-1-yl)methoxy]benzoic acid (PubChem CID 20986481) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[(2-methylpiperidin-1-yl)methoxy]benzoic acid.

Molecular Properties

Compound Name2-[(2-methylpiperidin-1-yl)methoxy]benzoic acid
PubChem CID20986481
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-[(2-methylpiperidin-1-yl)methoxy]benzoic acid
SMILESCC1CCCCN1COc1ccccc1C(=O)O
InChIInChI=1S/C14H19NO3/c1-11-6-4-5-9-15(11)10-18-13-8-3-2-7-12(13)14(16)17/h2-3,7-8,11H,4-6,9-10H2,1H3,(H,16,17)
InChIKeySWQXMJALGTVWPI-UHFFFAOYSA-N
XLogP2.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-methylpiperidin-1-yl)ethoxy]benzoic acid
CID 23009931
2-[3-(2,6-dimethylpiperidin-1-yl)propoxy]benzoic acid
CID 22682087
1-[2-[(2R)-2-hydroxy-3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]ethanone
CID 25278451
N'-(cyclopropanecarbonyl)-2-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]benzohydrazide
CID 95151097
2-[(3,5-dimethylpiperidin-1-yl)methoxy]benzoic acid
CID 20987682
2-[(2-methylpiperidin-1-yl)methyl]pyridine-3-carboxylic acid
CID 82187666
2-[2-(2-ethylpyrrolidin-1-yl)ethoxy]benzoic acid
CID 60973416
2-(cyclopentyloxymethoxy)benzoic acid
CID 68845685
1-(2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 2422526
1-(2-fluorophenyl)-2-(2-methylpiperidin-1-yl)ethanone
CID 5149362
2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]benzoic acid
CID 170367933
N-(2-cyanoethyl)-N-methyl-2-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]benzamide
CID 95308016

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpiperidin-1-yl)methoxy]benzoic acid?
The IUPAC name of 2-[(2-methylpiperidin-1-yl)methoxy]benzoic acid (CID 20986481) is 2-[(2-methylpiperidin-1-yl)methoxy]benzoic acid.
What is the SMILES notation for 2-[(2-methylpiperidin-1-yl)methoxy]benzoic acid?
The canonical SMILES for 2-[(2-methylpiperidin-1-yl)methoxy]benzoic acid is CC1CCCCN1COc1ccccc1C(=O)O.
What is the InChIKey of 2-[(2-methylpiperidin-1-yl)methoxy]benzoic acid?
The InChIKey is SWQXMJALGTVWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-11-6-4-5-9-15(11)10-18-13-8-3-2-7-12(13)14(16)17/h2-3,7-8,11H,4-6,9-10H2,1H3,(H,16,17).
What are the key properties of 2-[(2-methylpiperidin-1-yl)methoxy]benzoic acid?
2-[(2-methylpiperidin-1-yl)methoxy]benzoic acid has a molecular weight of 249.31 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpiperidin-1-yl)methoxy]benzoic acid is sourced from PubChem (CID 20986481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).