2,6-dimethyl-4-(2,3,5-trimethylpiperidin-1-yl)pyridine-3-carboxylic acid

C16H24N2O2 — CID 114597248

IUPAC2,6-dimethyl-4-(2,3,5-trimethylpiperidin-1-yl)pyridine-3-carboxylic acid
SMILESCc1cc(N2CC(C)CC(C)C2C)c(C(=O)O)c(C)n1
InChIInChI=1S/C16H24N2O2/c1-9-6-10(2)13(5)18(8-9)14-7-11(3)17-12(4)15(14)16(19)20/h7,9-10,13H,6,8H2,1-5H3,(H,19,20)
InChIKeyZHYPMBNXIOYCGK-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.27
Rot. Bonds2

About 2,6-dimethyl-4-(2,3,5-trimethylpiperidin-1-yl)pyridine-3-carboxylic acid

2,6-dimethyl-4-(2,3,5-trimethylpiperidin-1-yl)pyridine-3-carboxylic acid (PubChem CID 114597248) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2,6-dimethyl-4-(2,3,5-trimethylpiperidin-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2,6-dimethyl-4-(2,3,5-trimethylpiperidin-1-yl)pyridine-3-carboxylic acid
PubChem CID114597248
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2,6-dimethyl-4-(2,3,5-trimethylpiperidin-1-yl)pyridine-3-carboxylic acid
SMILESCc1cc(N2CC(C)CC(C)C2C)c(C(=O)O)c(C)n1
InChIInChI=1S/C16H24N2O2/c1-9-6-10(2)13(5)18(8-9)14-7-11(3)17-12(4)15(14)16(19)20/h7,9-10,13H,6,8H2,1-5H3,(H,19,20)
InChIKeyZHYPMBNXIOYCGK-UHFFFAOYSA-N
XLogP3.27
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(2,3,5-trimethylpiperidin-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 2,6-dimethyl-4-(2,3,5-trimethylpiperidin-1-yl)pyridine-3-carboxylic acid (CID 114597248) is 2,6-dimethyl-4-(2,3,5-trimethylpiperidin-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2,6-dimethyl-4-(2,3,5-trimethylpiperidin-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 2,6-dimethyl-4-(2,3,5-trimethylpiperidin-1-yl)pyridine-3-carboxylic acid is Cc1cc(N2CC(C)CC(C)C2C)c(C(=O)O)c(C)n1.
What is the InChIKey of 2,6-dimethyl-4-(2,3,5-trimethylpiperidin-1-yl)pyridine-3-carboxylic acid?
The InChIKey is ZHYPMBNXIOYCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-9-6-10(2)13(5)18(8-9)14-7-11(3)17-12(4)15(14)16(19)20/h7,9-10,13H,6,8H2,1-5H3,(H,19,20).
What are the key properties of 2,6-dimethyl-4-(2,3,5-trimethylpiperidin-1-yl)pyridine-3-carboxylic acid?
2,6-dimethyl-4-(2,3,5-trimethylpiperidin-1-yl)pyridine-3-carboxylic acid has a molecular weight of 276.38 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(2,3,5-trimethylpiperidin-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 114597248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).