2-methyl-6-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]oxypyrazine

C13H18F3N3O — CID 171700819

IUPAC2-methyl-6-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]oxypyrazine
SMILESCc1cncc(OC2CCN(CCC(F)(F)F)CC2)n1
InChIInChI=1S/C13H18F3N3O/c1-10-8-17-9-12(18-10)20-11-2-5-19(6-3-11)7-4-13(14,15)16/h8-9,11H,2-7H2,1H3
InChIKeyGACDZOCLGTWOOR-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.58
Rot. Bonds4

About 2-methyl-6-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]oxypyrazine

2-methyl-6-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]oxypyrazine (PubChem CID 171700819) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is 2-methyl-6-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]oxypyrazine.

Molecular Properties

Compound Name2-methyl-6-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]oxypyrazine
PubChem CID171700819
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name2-methyl-6-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]oxypyrazine
SMILESCc1cncc(OC2CCN(CCC(F)(F)F)CC2)n1
InChIInChI=1S/C13H18F3N3O/c1-10-8-17-9-12(18-10)20-11-2-5-19(6-3-11)7-4-13(14,15)16/h8-9,11H,2-7H2,1H3
InChIKeyGACDZOCLGTWOOR-UHFFFAOYSA-N
XLogP2.58
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.58
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-(3,3,3-trifluoropropyl)piperidin-4-yl]oxypyrazine?
The IUPAC name of 2-methyl-6-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]oxypyrazine (CID 171700819) is 2-methyl-6-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]oxypyrazine.
What is the SMILES notation for 2-methyl-6-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]oxypyrazine?
The canonical SMILES for 2-methyl-6-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]oxypyrazine is Cc1cncc(OC2CCN(CCC(F)(F)F)CC2)n1.
What is the InChIKey of 2-methyl-6-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]oxypyrazine?
The InChIKey is GACDZOCLGTWOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-10-8-17-9-12(18-10)20-11-2-5-19(6-3-11)7-4-13(14,15)16/h8-9,11H,2-7H2,1H3.
What are the key properties of 2-methyl-6-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]oxypyrazine?
2-methyl-6-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]oxypyrazine has a molecular weight of 289.30 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]oxypyrazine is sourced from PubChem (CID 171700819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).