3-(3,3-dimethylpiperidin-1-yl)pyridine-4-carboxylic acid

C13H18N2O2 — CID 114288722

IUPAC3-(3,3-dimethylpiperidin-1-yl)pyridine-4-carboxylic acid
SMILESCC1(C)CCCN(c2cnccc2C(=O)O)C1
InChIInChI=1S/C13H18N2O2/c1-13(2)5-3-7-15(9-13)11-8-14-6-4-10(11)12(16)17/h4,6,8H,3,5,7,9H2,1-2H3,(H,16,17)
InChIKeyPZVKJLKTFIXOFA-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.41
Rot. Bonds2

About 3-(3,3-dimethylpiperidin-1-yl)pyridine-4-carboxylic acid

3-(3,3-dimethylpiperidin-1-yl)pyridine-4-carboxylic acid (PubChem CID 114288722) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-(3,3-dimethylpiperidin-1-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(3,3-dimethylpiperidin-1-yl)pyridine-4-carboxylic acid
PubChem CID114288722
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-(3,3-dimethylpiperidin-1-yl)pyridine-4-carboxylic acid
SMILESCC1(C)CCCN(c2cnccc2C(=O)O)C1
InChIInChI=1S/C13H18N2O2/c1-13(2)5-3-7-15(9-13)11-8-14-6-4-10(11)12(16)17/h4,6,8H,3,5,7,9H2,1-2H3,(H,16,17)
InChIKeyPZVKJLKTFIXOFA-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylpiperidin-1-yl)pyridine-4-carboxylic acid?
The IUPAC name of 3-(3,3-dimethylpiperidin-1-yl)pyridine-4-carboxylic acid (CID 114288722) is 3-(3,3-dimethylpiperidin-1-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-(3,3-dimethylpiperidin-1-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 3-(3,3-dimethylpiperidin-1-yl)pyridine-4-carboxylic acid is CC1(C)CCCN(c2cnccc2C(=O)O)C1.
What is the InChIKey of 3-(3,3-dimethylpiperidin-1-yl)pyridine-4-carboxylic acid?
The InChIKey is PZVKJLKTFIXOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-13(2)5-3-7-15(9-13)11-8-14-6-4-10(11)12(16)17/h4,6,8H,3,5,7,9H2,1-2H3,(H,16,17).
What are the key properties of 3-(3,3-dimethylpiperidin-1-yl)pyridine-4-carboxylic acid?
3-(3,3-dimethylpiperidin-1-yl)pyridine-4-carboxylic acid has a molecular weight of 234.30 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylpiperidin-1-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 114288722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).