6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carboxylic acid

C12H17N3O2 — CID 66450319

IUPAC6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carboxylic acid
SMILESCC1(C)CCN(c2cncc(C(=O)O)n2)CC1
InChIInChI=1S/C12H17N3O2/c1-12(2)3-5-15(6-4-12)10-8-13-7-9(14-10)11(16)17/h7-8H,3-6H2,1-2H3,(H,16,17)
InChIKeyGZRIELJGSHYLKD-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.80
Rot. Bonds2

About 6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carboxylic acid

6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carboxylic acid (PubChem CID 66450319) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carboxylic acid
PubChem CID66450319
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carboxylic acid
SMILESCC1(C)CCN(c2cncc(C(=O)O)n2)CC1
InChIInChI=1S/C12H17N3O2/c1-12(2)3-5-15(6-4-12)10-8-13-7-9(14-10)11(16)17/h7-8H,3-6H2,1-2H3,(H,16,17)
InChIKeyGZRIELJGSHYLKD-UHFFFAOYSA-N
XLogP1.80
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-hydroxy-3-methylpyrrolidin-1-yl)pyrazine-2-carboxylic acid
CID 103356411
6-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]pyrazine-2-carboxylic acid
CID 137345511
6-(4-hydroxy-3-methylpiperidin-1-yl)pyrazine-2-carboxylic acid
CID 114678867
6-(4,4-dimethylazepan-1-yl)pyridine-2-carboxylic acid
CID 65283066
6-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]pyrazine-2-carboxylic acid
CID 86283729
6-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]pyrazine-2-carboxylic acid
CID 126451229
6-(3-hydroxypiperidin-1-yl)pyrazine-2-carboxylic acid
CID 66457642
6-(4,4-dimethylazepan-1-yl)pyrazin-2-amine
CID 79033929
6-(3,3-dimethylpyrrolidin-1-yl)pyrazin-2-amine
CID 79034078
6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrazine-2-carboxylic acid
CID 66456547
6-[3-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carboxylic acid
CID 66452127
pyrazine-2,6-dicarboxylic acid
CID 11601391

Frequently Asked Questions

What is the IUPAC name of 6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carboxylic acid?
The IUPAC name of 6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carboxylic acid (CID 66450319) is 6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carboxylic acid?
The canonical SMILES for 6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carboxylic acid is CC1(C)CCN(c2cncc(C(=O)O)n2)CC1.
What is the InChIKey of 6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carboxylic acid?
The InChIKey is GZRIELJGSHYLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-12(2)3-5-15(6-4-12)10-8-13-7-9(14-10)11(16)17/h7-8H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carboxylic acid?
6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carboxylic acid has a molecular weight of 235.29 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 66450319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).