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

C15H21NO3 — CID 23009931

IUPAC2-[2-(2-methylpiperidin-1-yl)ethoxy]benzoic acid
SMILESCC1CCCCN1CCOc1ccccc1C(=O)O
InChIInChI=1S/C15H21NO3/c1-12-6-4-5-9-16(12)10-11-19-14-8-3-2-7-13(14)15(17)18/h2-3,7-8,12H,4-6,9-11H2,1H3,(H,17,18)
InChIKeyJRHZZBURALBMMZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.64
Rot. Bonds5

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

2-[2-(2-methylpiperidin-1-yl)ethoxy]benzoic acid (PubChem CID 23009931) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[2-(2-methylpiperidin-1-yl)ethoxy]benzoic acid.

Molecular Properties

Compound Name2-[2-(2-methylpiperidin-1-yl)ethoxy]benzoic acid
PubChem CID23009931
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-[2-(2-methylpiperidin-1-yl)ethoxy]benzoic acid
SMILESCC1CCCCN1CCOc1ccccc1C(=O)O
InChIInChI=1S/C15H21NO3/c1-12-6-4-5-9-16(12)10-11-19-14-8-3-2-7-13(14)15(17)18/h2-3,7-8,12H,4-6,9-11H2,1H3,(H,17,18)
InChIKeyJRHZZBURALBMMZ-UHFFFAOYSA-N
XLogP2.64
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methylpiperidin-1-yl)methoxy]benzoic acid
CID 20986481
N'-(cyclopropanecarbonyl)-2-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]benzohydrazide
CID 95151097
2-[2-(2-ethylpyrrolidin-1-yl)ethoxy]benzoic acid
CID 60973416
2-[3-(2,6-dimethylpiperidin-1-yl)propoxy]benzoic acid
CID 22682087
N-(2-cyanoethyl)-N-methyl-2-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]benzamide
CID 95308016
N-(2-cyanoethyl)-N-methyl-2-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]benzamide
CID 95308015
2-[2-(4-methylazepan-1-yl)ethoxy]benzoic acid
CID 63622429
2-methyl-1-[6-(2-methylphenoxy)hexyl]piperidine
CID 16616246
2-[2-(4-ethyl-3-methylpiperazin-1-yl)ethoxy]benzoic acid
CID 63608700
1-[2-[2-[2-(2-hydroxyethyl)piperidin-1-yl]ethoxy]phenyl]ethanone
CID 60690046
1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine-2-carboxylic acid
CID 82224167
1-[2-[2-[2-(1-aminoethyl)piperidin-1-yl]ethoxy]phenyl]ethanone
CID 63255392

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylpiperidin-1-yl)ethoxy]benzoic acid?
The IUPAC name of 2-[2-(2-methylpiperidin-1-yl)ethoxy]benzoic acid (CID 23009931) is 2-[2-(2-methylpiperidin-1-yl)ethoxy]benzoic acid.
What is the SMILES notation for 2-[2-(2-methylpiperidin-1-yl)ethoxy]benzoic acid?
The canonical SMILES for 2-[2-(2-methylpiperidin-1-yl)ethoxy]benzoic acid is CC1CCCCN1CCOc1ccccc1C(=O)O.
What is the InChIKey of 2-[2-(2-methylpiperidin-1-yl)ethoxy]benzoic acid?
The InChIKey is JRHZZBURALBMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-12-6-4-5-9-16(12)10-11-19-14-8-3-2-7-13(14)15(17)18/h2-3,7-8,12H,4-6,9-11H2,1H3,(H,17,18).
What are the key properties of 2-[2-(2-methylpiperidin-1-yl)ethoxy]benzoic acid?
2-[2-(2-methylpiperidin-1-yl)ethoxy]benzoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylpiperidin-1-yl)ethoxy]benzoic acid is sourced from PubChem (CID 23009931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).