2-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid

C13H19N3O2 — CID 43421741

IUPAC2-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid
SMILESCC(C)N1CCN(c2ncccc2C(=O)O)CC1
InChIInChI=1S/C13H19N3O2/c1-10(2)15-6-8-16(9-7-15)12-11(13(17)18)4-3-5-14-12/h3-5,10H,6-9H2,1-2H3,(H,17,18)
InChIKeyCUQYDBFKXLSNFB-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.31
Rot. Bonds3

About 2-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid

2-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid (PubChem CID 43421741) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid
PubChem CID43421741
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid
SMILESCC(C)N1CCN(c2ncccc2C(=O)O)CC1
InChIInChI=1S/C13H19N3O2/c1-10(2)15-6-8-16(9-7-15)12-11(13(17)18)4-3-5-14-12/h3-5,10H,6-9H2,1-2H3,(H,17,18)
InChIKeyCUQYDBFKXLSNFB-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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Related Compounds

2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 2794739
2-(3,4-dimethylpyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 79181220
1-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone
CID 56692641
2-(4-tert-butylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 62085076
2-(4-benzylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 18536294
2-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 94283741
methyl 2-[4-(1-cyanoethyl)piperazin-1-yl]pyridine-3-carboxylate
CID 63340452
2-(4-oxoimidazolidin-1-yl)pyridine-3-carboxylic acid
CID 167721300
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridine-3-carboxylic acid
CID 45422859
2-(3-ethylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 43430341
2-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid
CID 129445709
2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 129359483

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid (CID 43421741) is 2-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid is CC(C)N1CCN(c2ncccc2C(=O)O)CC1.
What is the InChIKey of 2-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid?
The InChIKey is CUQYDBFKXLSNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10(2)15-6-8-16(9-7-15)12-11(13(17)18)4-3-5-14-12/h3-5,10H,6-9H2,1-2H3,(H,17,18).
What are the key properties of 2-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid?
2-(4-propan-2-ylpiperazin-1-yl)pyridine-3-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 2-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 43421741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).