2-[1-[[1-(4-fluorophenyl)triazol-4-yl]methyl]piperidin-4-yl]oxypyrazine

C18H19FN6O — CID 138037685

IUPAC2-[1-[[1-(4-fluorophenyl)triazol-4-yl]methyl]piperidin-4-yl]oxypyrazine
SMILESFc1ccc(-n2cc(CN3CCC(Oc4cnccn4)CC3)nn2)cc1
InChIInChI=1S/C18H19FN6O/c19-14-1-3-16(4-2-14)25-13-15(22-23-25)12-24-9-5-17(6-10-24)26-18-11-20-7-8-21-18/h1-4,7-8,11,13,17H,5-6,9-10,12H2
InChIKeyZNXMYSDAKKEYDE-UHFFFAOYSA-N
MW354.39 g/mol
LogP2.24
Rot. Bonds5

About 2-[1-[[1-(4-fluorophenyl)triazol-4-yl]methyl]piperidin-4-yl]oxypyrazine

2-[1-[[1-(4-fluorophenyl)triazol-4-yl]methyl]piperidin-4-yl]oxypyrazine (PubChem CID 138037685) has the molecular formula C18H19FN6O and a molecular weight of 354.39 g/mol. Its IUPAC name is 2-[1-[[1-(4-fluorophenyl)triazol-4-yl]methyl]piperidin-4-yl]oxypyrazine.

Molecular Properties

Compound Name2-[1-[[1-(4-fluorophenyl)triazol-4-yl]methyl]piperidin-4-yl]oxypyrazine
PubChem CID138037685
Molecular FormulaC18H19FN6O
Molecular Weight354.39 g/mol
Exact Mass354.16
IUPAC Name2-[1-[[1-(4-fluorophenyl)triazol-4-yl]methyl]piperidin-4-yl]oxypyrazine
SMILESFc1ccc(-n2cc(CN3CCC(Oc4cnccn4)CC3)nn2)cc1
InChIInChI=1S/C18H19FN6O/c19-14-1-3-16(4-2-14)25-13-15(22-23-25)12-24-9-5-17(6-10-24)26-18-11-20-7-8-21-18/h1-4,7-8,11,13,17H,5-6,9-10,12H2
InChIKeyZNXMYSDAKKEYDE-UHFFFAOYSA-N
XLogP2.24
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-(4-fluorophenyl)triazol-4-yl]methyl]piperidin-4-yl]oxypyrazine?
The IUPAC name of 2-[1-[[1-(4-fluorophenyl)triazol-4-yl]methyl]piperidin-4-yl]oxypyrazine (CID 138037685) is 2-[1-[[1-(4-fluorophenyl)triazol-4-yl]methyl]piperidin-4-yl]oxypyrazine.
What is the SMILES notation for 2-[1-[[1-(4-fluorophenyl)triazol-4-yl]methyl]piperidin-4-yl]oxypyrazine?
The canonical SMILES for 2-[1-[[1-(4-fluorophenyl)triazol-4-yl]methyl]piperidin-4-yl]oxypyrazine is Fc1ccc(-n2cc(CN3CCC(Oc4cnccn4)CC3)nn2)cc1.
What is the InChIKey of 2-[1-[[1-(4-fluorophenyl)triazol-4-yl]methyl]piperidin-4-yl]oxypyrazine?
The InChIKey is ZNXMYSDAKKEYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6O/c19-14-1-3-16(4-2-14)25-13-15(22-23-25)12-24-9-5-17(6-10-24)26-18-11-20-7-8-21-18/h1-4,7-8,11,13,17H,5-6,9-10,12H2.
What are the key properties of 2-[1-[[1-(4-fluorophenyl)triazol-4-yl]methyl]piperidin-4-yl]oxypyrazine?
2-[1-[[1-(4-fluorophenyl)triazol-4-yl]methyl]piperidin-4-yl]oxypyrazine has a molecular weight of 354.39 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-(4-fluorophenyl)triazol-4-yl]methyl]piperidin-4-yl]oxypyrazine is sourced from PubChem (CID 138037685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).