6-[3-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carboxylic acid

C11H12F3N3O2 — CID 66452127

IUPAC6-[3-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cncc(N2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C11H12F3N3O2/c12-11(13,14)7-2-1-3-17(6-7)9-5-15-4-8(16-9)10(18)19/h4-5,7H,1-3,6H2,(H,18,19)
InChIKeyMFUYLXRQWIYRNY-UHFFFAOYSA-N
MW275.23 g/mol
LogP1.95
Rot. Bonds2

About 6-[3-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carboxylic acid

6-[3-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carboxylic acid (PubChem CID 66452127) has the molecular formula C11H12F3N3O2 and a molecular weight of 275.23 g/mol. Its IUPAC name is 6-[3-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-[3-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carboxylic acid
PubChem CID66452127
Molecular FormulaC11H12F3N3O2
Molecular Weight275.23 g/mol
Exact Mass275.09
IUPAC Name6-[3-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cncc(N2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C11H12F3N3O2/c12-11(13,14)7-2-1-3-17(6-7)9-5-15-4-8(16-9)10(18)19/h4-5,7H,1-3,6H2,(H,18,19)
InChIKeyMFUYLXRQWIYRNY-UHFFFAOYSA-N
XLogP1.95
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-hydroxypiperidin-1-yl)pyrazine-2-carboxylic acid
CID 66457642
[6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methanamine
CID 66449158
6-(3-propoxypiperidin-1-yl)pyrazine-2-carboxylic acid
CID 66450862
6-(4-hydroxy-3-methylpiperidin-1-yl)pyrazine-2-carboxylic acid
CID 114678867
[6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazin-2-yl]methanol
CID 114271971
6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carboxylic acid
CID 66450319
5-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 80631786
6-[3-(trifluoromethyl)piperidin-1-yl]pyridine-2,3-diamine
CID 79825633
6-[(3S)-3-(trifluoromethyl)piperidin-1-yl]pyridin-3-amine
CID 129372273
6-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]pyrazine-2-carboxylic acid
CID 86283729
5-methyl-2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-4-carboxylic acid
CID 115424754
2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-sulfonamide
CID 95288282

Frequently Asked Questions

What is the IUPAC name of 6-[3-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carboxylic acid?
The IUPAC name of 6-[3-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carboxylic acid (CID 66452127) is 6-[3-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-[3-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carboxylic acid?
The canonical SMILES for 6-[3-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carboxylic acid is O=C(O)c1cncc(N2CCCC(C(F)(F)F)C2)n1.
What is the InChIKey of 6-[3-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carboxylic acid?
The InChIKey is MFUYLXRQWIYRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O2/c12-11(13,14)7-2-1-3-17(6-7)9-5-15-4-8(16-9)10(18)19/h4-5,7H,1-3,6H2,(H,18,19).
What are the key properties of 6-[3-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carboxylic acid?
6-[3-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carboxylic acid has a molecular weight of 275.23 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 66452127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).