3-[3-(dimethylamino)piperidin-1-yl]pyridine-4-carboxylic acid

C13H19N3O2 — CID 114288772

IUPAC3-[3-(dimethylamino)piperidin-1-yl]pyridine-4-carboxylic acid
SMILESCN(C)C1CCCN(c2cnccc2C(=O)O)C1
InChIInChI=1S/C13H19N3O2/c1-15(2)10-4-3-7-16(9-10)12-8-14-6-5-11(12)13(17)18/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,17,18)
InChIKeyOOGPACZARQJFMX-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.31
Rot. Bonds3

About 3-[3-(dimethylamino)piperidin-1-yl]pyridine-4-carboxylic acid

3-[3-(dimethylamino)piperidin-1-yl]pyridine-4-carboxylic acid (PubChem CID 114288772) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-[3-(dimethylamino)piperidin-1-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[3-(dimethylamino)piperidin-1-yl]pyridine-4-carboxylic acid
PubChem CID114288772
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-[3-(dimethylamino)piperidin-1-yl]pyridine-4-carboxylic acid
SMILESCN(C)C1CCCN(c2cnccc2C(=O)O)C1
InChIInChI=1S/C13H19N3O2/c1-15(2)10-4-3-7-16(9-10)12-8-14-6-5-11(12)13(17)18/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,17,18)
InChIKeyOOGPACZARQJFMX-UHFFFAOYSA-N
XLogP1.31
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)piperidin-1-yl]pyridine-4-carboxylic acid?
The IUPAC name of 3-[3-(dimethylamino)piperidin-1-yl]pyridine-4-carboxylic acid (CID 114288772) is 3-[3-(dimethylamino)piperidin-1-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[3-(dimethylamino)piperidin-1-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[3-(dimethylamino)piperidin-1-yl]pyridine-4-carboxylic acid is CN(C)C1CCCN(c2cnccc2C(=O)O)C1.
What is the InChIKey of 3-[3-(dimethylamino)piperidin-1-yl]pyridine-4-carboxylic acid?
The InChIKey is OOGPACZARQJFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-15(2)10-4-3-7-16(9-10)12-8-14-6-5-11(12)13(17)18/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,17,18).
What are the key properties of 3-[3-(dimethylamino)piperidin-1-yl]pyridine-4-carboxylic acid?
3-[3-(dimethylamino)piperidin-1-yl]pyridine-4-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)piperidin-1-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 114288772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).