2-(2,4-dimethylpiperidin-1-yl)-6-methylpyridine-4-carboxylic acid

C14H20N2O2 — CID 113378624

IUPAC2-(2,4-dimethylpiperidin-1-yl)-6-methylpyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)cc(N2CCC(C)CC2C)n1
InChIInChI=1S/C14H20N2O2/c1-9-4-5-16(11(3)6-9)13-8-12(14(17)18)7-10(2)15-13/h7-9,11H,4-6H2,1-3H3,(H,17,18)
InChIKeyCVNZZPSWJPUNGM-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.71
Rot. Bonds2

About 2-(2,4-dimethylpiperidin-1-yl)-6-methylpyridine-4-carboxylic acid

2-(2,4-dimethylpiperidin-1-yl)-6-methylpyridine-4-carboxylic acid (PubChem CID 113378624) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(2,4-dimethylpiperidin-1-yl)-6-methylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,4-dimethylpiperidin-1-yl)-6-methylpyridine-4-carboxylic acid
PubChem CID113378624
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(2,4-dimethylpiperidin-1-yl)-6-methylpyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)cc(N2CCC(C)CC2C)n1
InChIInChI=1S/C14H20N2O2/c1-9-4-5-16(11(3)6-9)13-8-12(14(17)18)7-10(2)15-13/h7-9,11H,4-6H2,1-3H3,(H,17,18)
InChIKeyCVNZZPSWJPUNGM-UHFFFAOYSA-N
XLogP2.71
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2,4-dimethylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 62331437
2-chloro-6-(2-methylpyrrolidin-1-yl)pyridine-4-carboxylic acid
CID 60973947
2-(2,4-dimethylpyrrolidin-1-yl)-6-methylpyridine-4-carbothioamide
CID 114768007
2-chloro-6-(2,4-dimethylpiperidin-1-yl)pyridin-4-amine
CID 104924418
4-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid
CID 114422241
2-(2,4-dimethylpiperidin-1-yl)-1,3-benzoxazole-6-carboxylic acid
CID 116691156
[2-(2,4-dimethylpiperidin-1-yl)quinolin-4-yl]methanol
CID 62330017
2-methyl-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-4-carboxylic acid
CID 114271864
2-methyl-6-(2-methylpyrrolidin-1-yl)pyridine-4-carbothioamide
CID 114767295
2-methyl-6-(3-propan-2-ylpyrrolidin-1-yl)pyridine-4-carboxylic acid
CID 113417713
2-(2,4-dimethylpiperidin-1-yl)-4-methylpyrimidine-5-carboxylic acid
CID 83181833
2-(2,4-dimethylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 55061903

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylpiperidin-1-yl)-6-methylpyridine-4-carboxylic acid?
The IUPAC name of 2-(2,4-dimethylpiperidin-1-yl)-6-methylpyridine-4-carboxylic acid (CID 113378624) is 2-(2,4-dimethylpiperidin-1-yl)-6-methylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-(2,4-dimethylpiperidin-1-yl)-6-methylpyridine-4-carboxylic acid?
The canonical SMILES for 2-(2,4-dimethylpiperidin-1-yl)-6-methylpyridine-4-carboxylic acid is Cc1cc(C(=O)O)cc(N2CCC(C)CC2C)n1.
What is the InChIKey of 2-(2,4-dimethylpiperidin-1-yl)-6-methylpyridine-4-carboxylic acid?
The InChIKey is CVNZZPSWJPUNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9-4-5-16(11(3)6-9)13-8-12(14(17)18)7-10(2)15-13/h7-9,11H,4-6H2,1-3H3,(H,17,18).
What are the key properties of 2-(2,4-dimethylpiperidin-1-yl)-6-methylpyridine-4-carboxylic acid?
2-(2,4-dimethylpiperidin-1-yl)-6-methylpyridine-4-carboxylic acid has a molecular weight of 248.33 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylpiperidin-1-yl)-6-methylpyridine-4-carboxylic acid is sourced from PubChem (CID 113378624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).