methyl 6-(4,4-difluoro-3-methylpiperidin-1-yl)pyrazine-2-carboxylate

C12H15F2N3O2 — CID 167450642

IUPACmethyl 6-(4,4-difluoro-3-methylpiperidin-1-yl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(N2CCC(F)(F)C(C)C2)n1
InChIInChI=1S/C12H15F2N3O2/c1-8-7-17(4-3-12(8,13)14)10-6-15-5-9(16-10)11(18)19-2/h5-6,8H,3-4,7H2,1-2H3
InChIKeyYUSBWQLCLLNONR-UHFFFAOYSA-N
MW271.27 g/mol
LogP1.74
Rot. Bonds2

About methyl 6-(4,4-difluoro-3-methylpiperidin-1-yl)pyrazine-2-carboxylate

methyl 6-(4,4-difluoro-3-methylpiperidin-1-yl)pyrazine-2-carboxylate (PubChem CID 167450642) has the molecular formula C12H15F2N3O2 and a molecular weight of 271.27 g/mol. Its IUPAC name is methyl 6-(4,4-difluoro-3-methylpiperidin-1-yl)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(4,4-difluoro-3-methylpiperidin-1-yl)pyrazine-2-carboxylate
PubChem CID167450642
Molecular FormulaC12H15F2N3O2
Molecular Weight271.27 g/mol
Exact Mass271.11
IUPAC Namemethyl 6-(4,4-difluoro-3-methylpiperidin-1-yl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(N2CCC(F)(F)C(C)C2)n1
InChIInChI=1S/C12H15F2N3O2/c1-8-7-17(4-3-12(8,13)14)10-6-15-5-9(16-10)11(18)19-2/h5-6,8H,3-4,7H2,1-2H3
InChIKeyYUSBWQLCLLNONR-UHFFFAOYSA-N
XLogP1.74
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(4,4-difluoro-3-methylpiperidin-1-yl)pyrazine-2-carboxylate?
The IUPAC name of methyl 6-(4,4-difluoro-3-methylpiperidin-1-yl)pyrazine-2-carboxylate (CID 167450642) is methyl 6-(4,4-difluoro-3-methylpiperidin-1-yl)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(4,4-difluoro-3-methylpiperidin-1-yl)pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(4,4-difluoro-3-methylpiperidin-1-yl)pyrazine-2-carboxylate is COC(=O)c1cncc(N2CCC(F)(F)C(C)C2)n1.
What is the InChIKey of methyl 6-(4,4-difluoro-3-methylpiperidin-1-yl)pyrazine-2-carboxylate?
The InChIKey is YUSBWQLCLLNONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3O2/c1-8-7-17(4-3-12(8,13)14)10-6-15-5-9(16-10)11(18)19-2/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of methyl 6-(4,4-difluoro-3-methylpiperidin-1-yl)pyrazine-2-carboxylate?
methyl 6-(4,4-difluoro-3-methylpiperidin-1-yl)pyrazine-2-carboxylate has a molecular weight of 271.27 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(4,4-difluoro-3-methylpiperidin-1-yl)pyrazine-2-carboxylate is sourced from PubChem (CID 167450642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).