6-methyl-4-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid

C13H18N2O2 — CID 81233113

IUPAC6-methyl-4-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid
SMILESCc1cc(N2CCC(C)CC2)c(C(=O)O)cn1
InChIInChI=1S/C13H18N2O2/c1-9-3-5-15(6-4-9)12-7-10(2)14-8-11(12)13(16)17/h7-9H,3-6H2,1-2H3,(H,16,17)
InChIKeyMSQWVSDUYWCTPQ-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.32
Rot. Bonds2

About 6-methyl-4-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid

6-methyl-4-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid (PubChem CID 81233113) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 6-methyl-4-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-4-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid
PubChem CID81233113
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name6-methyl-4-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid
SMILESCc1cc(N2CCC(C)CC2)c(C(=O)O)cn1
InChIInChI=1S/C13H18N2O2/c1-9-3-5-15(6-4-9)12-7-10(2)14-8-11(12)13(16)17/h7-9H,3-6H2,1-2H3,(H,16,17)
InChIKeyMSQWVSDUYWCTPQ-UHFFFAOYSA-N
XLogP2.32
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-4-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid (CID 81233113) is 6-methyl-4-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-4-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-4-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid is Cc1cc(N2CCC(C)CC2)c(C(=O)O)cn1.
What is the InChIKey of 6-methyl-4-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid?
The InChIKey is MSQWVSDUYWCTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-3-5-15(6-4-9)12-7-10(2)14-8-11(12)13(16)17/h7-9H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 6-methyl-4-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid?
6-methyl-4-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid has a molecular weight of 234.30 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 81233113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).