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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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).