2-(1-methylpiperidin-4-yl)oxybenzoic acid

C13H17NO3 — CID 39203185

IUPAC2-(1-methylpiperidin-4-yl)oxybenzoic acid
SMILESCN1CCC(Oc2ccccc2C(=O)O)CC1
InChIInChI=1S/C13H17NO3/c1-14-8-6-10(7-9-14)17-12-5-3-2-4-11(12)13(15)16/h2-5,10H,6-9H2,1H3,(H,15,16)
InChIKeyUFHJGWFULLZYIY-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.86
Rot. Bonds3

About 2-(1-methylpiperidin-4-yl)oxybenzoic acid

2-(1-methylpiperidin-4-yl)oxybenzoic acid (PubChem CID 39203185) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)oxybenzoic acid.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)oxybenzoic acid
PubChem CID39203185
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-(1-methylpiperidin-4-yl)oxybenzoic acid
SMILESCN1CCC(Oc2ccccc2C(=O)O)CC1
InChIInChI=1S/C13H17NO3/c1-14-8-6-10(7-9-14)17-12-5-3-2-4-11(12)13(15)16/h2-5,10H,6-9H2,1H3,(H,15,16)
InChIKeyUFHJGWFULLZYIY-UHFFFAOYSA-N
XLogP1.86
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methylazepan-4-yl)oxybenzoic acid
CID 117053972
2-(4-propan-2-ylcyclohexyl)oxybenzoic acid
CID 70444480
4-bromo-2-(1-methylpiperidin-4-yl)oxybenzoic acid
CID 114907573
2-methoxy-3-(1-methylpyrrolidin-3-yl)oxybenzoic acid
CID 115005109
2-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide;hydrochloride
CID 82240674
3-[2-(1-methylpiperidin-4-yl)oxyphenyl]propanoic acid
CID 115005802
2-(3,4-dimethylcyclohexyl)oxybenzoic acid
CID 64745909
2-(1-methylpiperidin-4-yl)oxy-4-pyrrolidin-1-ylbenzoic acid
CID 68532853
methyl 2-[2-(1-methylpiperidin-4-yl)oxyphenyl]acetate
CID 117054228
methyl 2-hydroxy-2-[2-(1-methylpiperidin-4-yl)oxyphenyl]acetate
CID 117447814
2-[1-(2,2,2-trifluoro-1-phenylethyl)pyrrolidin-3-yl]oxybenzoic acid
CID 21271604
2-[3-[methyl-(1-methylpiperidin-4-yl)amino]propoxy]benzoic acid
CID 22683833

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)oxybenzoic acid?
The IUPAC name of 2-(1-methylpiperidin-4-yl)oxybenzoic acid (CID 39203185) is 2-(1-methylpiperidin-4-yl)oxybenzoic acid.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)oxybenzoic acid?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)oxybenzoic acid is CN1CCC(Oc2ccccc2C(=O)O)CC1.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)oxybenzoic acid?
The InChIKey is UFHJGWFULLZYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-14-8-6-10(7-9-14)17-12-5-3-2-4-11(12)13(15)16/h2-5,10H,6-9H2,1H3,(H,15,16).
What are the key properties of 2-(1-methylpiperidin-4-yl)oxybenzoic acid?
2-(1-methylpiperidin-4-yl)oxybenzoic acid has a molecular weight of 235.28 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)oxybenzoic acid is sourced from PubChem (CID 39203185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).