4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethylpyridine-3-carboxylic acid

C15H22N2O2 — CID 81053376

IUPAC4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(N2CCC(C)(C)CC2)c(C(=O)O)c(C)n1
InChIInChI=1S/C15H22N2O2/c1-10-9-12(13(14(18)19)11(2)16-10)17-7-5-15(3,4)6-8-17/h9H,5-8H2,1-4H3,(H,18,19)
InChIKeyFJGQMJHNVATUFN-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.02
Rot. Bonds2

About 4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethylpyridine-3-carboxylic acid

4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethylpyridine-3-carboxylic acid (PubChem CID 81053376) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethylpyridine-3-carboxylic acid
PubChem CID81053376
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(N2CCC(C)(C)CC2)c(C(=O)O)c(C)n1
InChIInChI=1S/C15H22N2O2/c1-10-9-12(13(14(18)19)11(2)16-10)17-7-5-15(3,4)6-8-17/h9H,5-8H2,1-4H3,(H,18,19)
InChIKeyFJGQMJHNVATUFN-UHFFFAOYSA-N
XLogP3.02
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(8-azaspiro[4.5]decan-8-yl)-2,6-dimethylpyridine-3-carboxylic acid
CID 81037183
4-(3,3-dimethylpyrrolidin-1-yl)-2,6-dimethylpyridine-3-carboximidamide
CID 81052131
4-(3,4-dimethoxypyrrolidin-1-yl)-2,6-dimethylpyridine-3-carboxylic acid
CID 103540185
4-(4-hydroxy-4-methylpiperidin-1-yl)-2,6-dimethylpyridine-3-carbothioamide
CID 81115324
4-(3,4-dimethylpiperazin-1-yl)-2,6-dimethylpyridine-3-carboxylic acid
CID 81052987
4-[3-(diethylamino)pyrrolidin-1-yl]-2,6-dimethylpyridine-3-carboxylic acid
CID 81037184
4-(4,4-dimethylcyclohexyl)oxy-2,6-dimethylpyridine-3-carboxylic acid
CID 114342617
4-[3-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carboxylic acid
CID 106589535
2,6-dimethyl-4-(2-methylazepan-1-yl)pyridine-3-carboxylic acid
CID 81052989
2,6-dimethyl-4-piperazin-1-ylpyridine-3-carboxamide
CID 81050845
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2,6-dimethylpyridine-3-carboxylic acid
CID 82752709
4-(2,4-dimethylpiperazin-1-yl)-2,6-dimethylpyridine-3-carboxylic acid
CID 114087919

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethylpyridine-3-carboxylic acid (CID 81053376) is 4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethylpyridine-3-carboxylic acid is Cc1cc(N2CCC(C)(C)CC2)c(C(=O)O)c(C)n1.
What is the InChIKey of 4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is FJGQMJHNVATUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-9-12(13(14(18)19)11(2)16-10)17-7-5-15(3,4)6-8-17/h9H,5-8H2,1-4H3,(H,18,19).
What are the key properties of 4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethylpyridine-3-carboxylic acid?
4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 262.35 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 81053376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).