6-(4-hydroxy-3-methylpiperidin-1-yl)pyrazine-2-carboxylic acid

C11H15N3O3 — CID 114678867

IUPAC6-(4-hydroxy-3-methylpiperidin-1-yl)pyrazine-2-carboxylic acid
SMILESCC1CN(c2cncc(C(=O)O)n2)CCC1O
InChIInChI=1S/C11H15N3O3/c1-7-6-14(3-2-9(7)15)10-5-12-4-8(13-10)11(16)17/h4-5,7,9,15H,2-3,6H2,1H3,(H,16,17)
InChIKeyBQXCVPLWHJREJS-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.38
Rot. Bonds2

About 6-(4-hydroxy-3-methylpiperidin-1-yl)pyrazine-2-carboxylic acid

6-(4-hydroxy-3-methylpiperidin-1-yl)pyrazine-2-carboxylic acid (PubChem CID 114678867) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 6-(4-hydroxy-3-methylpiperidin-1-yl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-(4-hydroxy-3-methylpiperidin-1-yl)pyrazine-2-carboxylic acid
PubChem CID114678867
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name6-(4-hydroxy-3-methylpiperidin-1-yl)pyrazine-2-carboxylic acid
SMILESCC1CN(c2cncc(C(=O)O)n2)CCC1O
InChIInChI=1S/C11H15N3O3/c1-7-6-14(3-2-9(7)15)10-5-12-4-8(13-10)11(16)17/h4-5,7,9,15H,2-3,6H2,1H3,(H,16,17)
InChIKeyBQXCVPLWHJREJS-UHFFFAOYSA-N
XLogP0.38
TPSA86.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-hydroxypiperidin-1-yl)pyrazine-2-carboxylic acid
CID 66457642
6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carboxylic acid
CID 66450319
6-[3-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carboxylic acid
CID 66452127
6-(3-propoxypiperidin-1-yl)pyrazine-2-carboxylic acid
CID 66450862
6-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]pyrazine-2-carboxylic acid
CID 86283729
1-[6-(2-hydroxyethoxy)pyrazin-2-yl]-3-methylpiperidin-4-ol
CID 133498606
6-[(3R,4R)-4-hydroxy-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid
CID 129445649
1-(6-methoxypyrazin-2-yl)-3-methylpiperidine-4-carboxylic acid
CID 114278501
(3R)-1-(6-chloropyrazin-2-yl)pyrrolidin-3-ol
CID 86323671
2-[1-(6-methoxycarbonylpyrazin-2-yl)pyrrolidin-3-yl]acetic acid
CID 66455444
methyl 6-[3-(dimethylamino)pyrrolidin-1-yl]pyrazine-2-carboxylate
CID 66449146
3-(4-hydroxy-3-methylpiperidin-1-yl)pyridine-4-carboxylic acid
CID 105062852

Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxy-3-methylpiperidin-1-yl)pyrazine-2-carboxylic acid?
The IUPAC name of 6-(4-hydroxy-3-methylpiperidin-1-yl)pyrazine-2-carboxylic acid (CID 114678867) is 6-(4-hydroxy-3-methylpiperidin-1-yl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-(4-hydroxy-3-methylpiperidin-1-yl)pyrazine-2-carboxylic acid?
The canonical SMILES for 6-(4-hydroxy-3-methylpiperidin-1-yl)pyrazine-2-carboxylic acid is CC1CN(c2cncc(C(=O)O)n2)CCC1O.
What is the InChIKey of 6-(4-hydroxy-3-methylpiperidin-1-yl)pyrazine-2-carboxylic acid?
The InChIKey is BQXCVPLWHJREJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-7-6-14(3-2-9(7)15)10-5-12-4-8(13-10)11(16)17/h4-5,7,9,15H,2-3,6H2,1H3,(H,16,17).
What are the key properties of 6-(4-hydroxy-3-methylpiperidin-1-yl)pyrazine-2-carboxylic acid?
6-(4-hydroxy-3-methylpiperidin-1-yl)pyrazine-2-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxy-3-methylpiperidin-1-yl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 114678867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).