2-methyl-6-piperidin-1-ylbenzoic acid

C13H17NO2 — CID 79694992

IUPAC2-methyl-6-piperidin-1-ylbenzoic acid
SMILESCc1cccc(N2CCCCC2)c1C(=O)O
InChIInChI=1S/C13H17NO2/c1-10-6-5-7-11(12(10)13(15)16)14-8-3-2-4-9-14/h5-7H,2-4,8-9H2,1H3,(H,15,16)
InChIKeyYXGKMFRCZPMTJE-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.68
Rot. Bonds2

About 2-methyl-6-piperidin-1-ylbenzoic acid

2-methyl-6-piperidin-1-ylbenzoic acid (PubChem CID 79694992) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-methyl-6-piperidin-1-ylbenzoic acid.

Molecular Properties

Compound Name2-methyl-6-piperidin-1-ylbenzoic acid
PubChem CID79694992
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-methyl-6-piperidin-1-ylbenzoic acid
SMILESCc1cccc(N2CCCCC2)c1C(=O)O
InChIInChI=1S/C13H17NO2/c1-10-6-5-7-11(12(10)13(15)16)14-8-3-2-4-9-14/h5-7H,2-4,8-9H2,1H3,(H,15,16)
InChIKeyYXGKMFRCZPMTJE-UHFFFAOYSA-N
XLogP2.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,3-dimethoxyazetidin-1-yl)-6-methylbenzoic acid
CID 79695202
2-pyrrolidin-1-yl-6-(trifluoromethyl)benzoic acid
CID 168512268
3-(azepan-1-yl)-4-methylbenzoic acid
CID 79686827
2-methyl-6-(2-methylazetidin-1-yl)benzoic acid
CID 79695201
2-(4-hydroxy-2-oxopyrrolidin-1-yl)-6-methylbenzoic acid
CID 168702711
2-(4,5-dihydroimidazol-1-yl)-6-methylbenzoic acid
CID 67903944
1-(2-methylphenyl)-3-(2-piperidin-1-ylphenyl)urea
CID 2814230
2-methyl-6-pyrazol-1-ylbenzoic acid
CID 84670599
2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-6-methylbenzoic acid
CID 104962826
3-[4-(azocan-1-yl)-3-methylphenyl]prop-2-enoic acid
CID 76936137
(E)-3-[4-(azepan-1-yl)-3-methylphenyl]prop-2-enoic acid
CID 55039965
1-(azepan-1-yl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2,2-dimethylpropane-1,3-dione
CID 108965457

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-piperidin-1-ylbenzoic acid?
The IUPAC name of 2-methyl-6-piperidin-1-ylbenzoic acid (CID 79694992) is 2-methyl-6-piperidin-1-ylbenzoic acid.
What is the SMILES notation for 2-methyl-6-piperidin-1-ylbenzoic acid?
The canonical SMILES for 2-methyl-6-piperidin-1-ylbenzoic acid is Cc1cccc(N2CCCCC2)c1C(=O)O.
What is the InChIKey of 2-methyl-6-piperidin-1-ylbenzoic acid?
The InChIKey is YXGKMFRCZPMTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-10-6-5-7-11(12(10)13(15)16)14-8-3-2-4-9-14/h5-7H,2-4,8-9H2,1H3,(H,15,16).
What are the key properties of 2-methyl-6-piperidin-1-ylbenzoic acid?
2-methyl-6-piperidin-1-ylbenzoic acid has a molecular weight of 219.28 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-piperidin-1-ylbenzoic acid is sourced from PubChem (CID 79694992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).