3-[(2-ethylpiperidin-1-yl)methoxy]benzoic acid

C15H21NO3 — CID 22685322

IUPAC3-[(2-ethylpiperidin-1-yl)methoxy]benzoic acid
SMILESCCC1CCCCN1COc1cccc(C(=O)O)c1
InChIInChI=1S/C15H21NO3/c1-2-13-7-3-4-9-16(13)11-19-14-8-5-6-12(10-14)15(17)18/h5-6,8,10,13H,2-4,7,9,11H2,1H3,(H,17,18)
InChIKeyRCSZRJXVCUPYRQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.99
Rot. Bonds5

About 3-[(2-ethylpiperidin-1-yl)methoxy]benzoic acid

3-[(2-ethylpiperidin-1-yl)methoxy]benzoic acid (PubChem CID 22685322) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[(2-ethylpiperidin-1-yl)methoxy]benzoic acid.

Molecular Properties

Compound Name3-[(2-ethylpiperidin-1-yl)methoxy]benzoic acid
PubChem CID22685322
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name3-[(2-ethylpiperidin-1-yl)methoxy]benzoic acid
SMILESCCC1CCCCN1COc1cccc(C(=O)O)c1
InChIInChI=1S/C15H21NO3/c1-2-13-7-3-4-9-16(13)11-19-14-8-5-6-12(10-14)15(17)18/h5-6,8,10,13H,2-4,7,9,11H2,1H3,(H,17,18)
InChIKeyRCSZRJXVCUPYRQ-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(1-methylpyrrolidin-2-yl)ethoxy]benzoic acid
CID 102823660
methyl 3-[(2S)-3-[(2R)-2-ethylpiperidin-1-yl]-2-hydroxypropoxy]benzoate
CID 7998324
3-[2-[(1-ethylpyrrolidin-2-yl)methylamino]ethoxy]benzoic acid
CID 103236004
[(2S)-2-ethylpiperidin-1-yl]-(3-pyrimidin-2-yloxyphenyl)methanone
CID 95875592
2-(2-ethylazepan-1-yl)-1-phenylethanone
CID 104690677
3-(cyclooctylmethoxy)benzoic acid
CID 58347494
3-[2-(3-ethyl-4-methylpiperazin-1-yl)ethoxy]benzoic acid
CID 63609414
3-[3-(2,3-dimethylpiperidin-1-yl)propoxy]benzoic acid
CID 63067439
3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoic acid
CID 16769713
1-(3-propoxybenzoyl)piperidine-2-carboxylic acid
CID 62406215
1-[3-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]ethanone
CID 79168162
3-[2-[cyclohexyl(methyl)amino]ethoxy]benzoic acid
CID 22680674

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethylpiperidin-1-yl)methoxy]benzoic acid?
The IUPAC name of 3-[(2-ethylpiperidin-1-yl)methoxy]benzoic acid (CID 22685322) is 3-[(2-ethylpiperidin-1-yl)methoxy]benzoic acid.
What is the SMILES notation for 3-[(2-ethylpiperidin-1-yl)methoxy]benzoic acid?
The canonical SMILES for 3-[(2-ethylpiperidin-1-yl)methoxy]benzoic acid is CCC1CCCCN1COc1cccc(C(=O)O)c1.
What is the InChIKey of 3-[(2-ethylpiperidin-1-yl)methoxy]benzoic acid?
The InChIKey is RCSZRJXVCUPYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-13-7-3-4-9-16(13)11-19-14-8-5-6-12(10-14)15(17)18/h5-6,8,10,13H,2-4,7,9,11H2,1H3,(H,17,18).
What are the key properties of 3-[(2-ethylpiperidin-1-yl)methoxy]benzoic acid?
3-[(2-ethylpiperidin-1-yl)methoxy]benzoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethylpiperidin-1-yl)methoxy]benzoic acid is sourced from PubChem (CID 22685322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).