2-methyl-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyrazine

C12H16F3N3O — CID 171701599

IUPAC2-methyl-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyrazine
SMILESCc1cncc(OC2CCN(CC(F)(F)F)CC2)n1
InChIInChI=1S/C12H16F3N3O/c1-9-6-16-7-11(17-9)19-10-2-4-18(5-3-10)8-12(13,14)15/h6-7,10H,2-5,8H2,1H3
InChIKeySNJKUFYGVSRVHP-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.19
Rot. Bonds3

About 2-methyl-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyrazine

2-methyl-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyrazine (PubChem CID 171701599) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-methyl-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyrazine.

Molecular Properties

Compound Name2-methyl-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyrazine
PubChem CID171701599
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name2-methyl-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyrazine
SMILESCc1cncc(OC2CCN(CC(F)(F)F)CC2)n1
InChIInChI=1S/C12H16F3N3O/c1-9-6-16-7-11(17-9)19-10-2-4-18(5-3-10)8-12(13,14)15/h6-7,10H,2-5,8H2,1H3
InChIKeySNJKUFYGVSRVHP-UHFFFAOYSA-N
XLogP2.19
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyrazine?
The IUPAC name of 2-methyl-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyrazine (CID 171701599) is 2-methyl-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyrazine.
What is the SMILES notation for 2-methyl-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyrazine?
The canonical SMILES for 2-methyl-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyrazine is Cc1cncc(OC2CCN(CC(F)(F)F)CC2)n1.
What is the InChIKey of 2-methyl-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyrazine?
The InChIKey is SNJKUFYGVSRVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-9-6-16-7-11(17-9)19-10-2-4-18(5-3-10)8-12(13,14)15/h6-7,10H,2-5,8H2,1H3.
What are the key properties of 2-methyl-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyrazine?
2-methyl-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyrazine has a molecular weight of 275.27 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyrazine is sourced from PubChem (CID 171701599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).