2-[(3,5-dimethylpiperidin-1-yl)methoxy]benzoic acid

C15H21NO3 — CID 20987682

IUPAC2-[(3,5-dimethylpiperidin-1-yl)methoxy]benzoic acid
SMILESCC1CC(C)CN(COc2ccccc2C(=O)O)C1
InChIInChI=1S/C15H21NO3/c1-11-7-12(2)9-16(8-11)10-19-14-6-4-3-5-13(14)15(17)18/h3-6,11-12H,7-10H2,1-2H3,(H,17,18)
InChIKeyJGELVMBSPNGABF-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.70
Rot. Bonds4

About 2-[(3,5-dimethylpiperidin-1-yl)methoxy]benzoic acid

2-[(3,5-dimethylpiperidin-1-yl)methoxy]benzoic acid (PubChem CID 20987682) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[(3,5-dimethylpiperidin-1-yl)methoxy]benzoic acid.

Molecular Properties

Compound Name2-[(3,5-dimethylpiperidin-1-yl)methoxy]benzoic acid
PubChem CID20987682
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-[(3,5-dimethylpiperidin-1-yl)methoxy]benzoic acid
SMILESCC1CC(C)CN(COc2ccccc2C(=O)O)C1
InChIInChI=1S/C15H21NO3/c1-11-7-12(2)9-16(8-11)10-19-14-6-4-3-5-13(14)15(17)18/h3-6,11-12H,7-10H2,1-2H3,(H,17,18)
InChIKeyJGELVMBSPNGABF-UHFFFAOYSA-N
XLogP2.70
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propoxy]benzoic acid
CID 26582010
2-(3,5-dimethylpiperidin-1-yl)-1-(2-ethoxyphenyl)ethanone
CID 43794286
2-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]benzoic acid
CID 40801831
2-[2-(3,5-dimethylcyclohexyl)oxyethoxy]benzoic acid
CID 64730959
2-[(2-methylpiperidin-1-yl)methoxy]benzoic acid
CID 20986481
2-[2-(4-methylazepan-1-yl)ethoxy]benzoic acid
CID 63622429
2-[2-(2-methylthiomorpholin-4-yl)ethoxy]benzoic acid
CID 113498440
2-[2-(4-ethyl-3-methylpiperazin-1-yl)ethoxy]benzoic acid
CID 63608700
2-ethoxybenzoic acid;zinc
CID 172723273
1-[2-(2-methoxyethoxy)benzoyl]-5-methylpiperidine-3-carboxylic acid
CID 122119800
3,5-dimethyl-1-(2-naphthalen-1-yloxyethyl)piperidine;oxalic acid
CID 2924114
3-(3,5-dimethylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 115996491

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylpiperidin-1-yl)methoxy]benzoic acid?
The IUPAC name of 2-[(3,5-dimethylpiperidin-1-yl)methoxy]benzoic acid (CID 20987682) is 2-[(3,5-dimethylpiperidin-1-yl)methoxy]benzoic acid.
What is the SMILES notation for 2-[(3,5-dimethylpiperidin-1-yl)methoxy]benzoic acid?
The canonical SMILES for 2-[(3,5-dimethylpiperidin-1-yl)methoxy]benzoic acid is CC1CC(C)CN(COc2ccccc2C(=O)O)C1.
What is the InChIKey of 2-[(3,5-dimethylpiperidin-1-yl)methoxy]benzoic acid?
The InChIKey is JGELVMBSPNGABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11-7-12(2)9-16(8-11)10-19-14-6-4-3-5-13(14)15(17)18/h3-6,11-12H,7-10H2,1-2H3,(H,17,18).
What are the key properties of 2-[(3,5-dimethylpiperidin-1-yl)methoxy]benzoic acid?
2-[(3,5-dimethylpiperidin-1-yl)methoxy]benzoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylpiperidin-1-yl)methoxy]benzoic acid is sourced from PubChem (CID 20987682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).