2-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]pyrazine

C16H17F2N3 — CID 118740092

IUPAC2-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]pyrazine
SMILESFc1ccc(F)c(CN2CCC(c3cnccn3)CC2)c1
InChIInChI=1S/C16H17F2N3/c17-14-1-2-15(18)13(9-14)11-21-7-3-12(4-8-21)16-10-19-5-6-20-16/h1-2,5-6,9-10,12H,3-4,7-8,11H2
InChIKeyVATHBLFVEIGIQD-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.13
Rot. Bonds3

About 2-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]pyrazine

2-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]pyrazine (PubChem CID 118740092) has the molecular formula C16H17F2N3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]pyrazine.

Molecular Properties

Compound Name2-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]pyrazine
PubChem CID118740092
Molecular FormulaC16H17F2N3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name2-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]pyrazine
SMILESFc1ccc(F)c(CN2CCC(c3cnccn3)CC2)c1
InChIInChI=1S/C16H17F2N3/c17-14-1-2-15(18)13(9-14)11-21-7-3-12(4-8-21)16-10-19-5-6-20-16/h1-2,5-6,9-10,12H,3-4,7-8,11H2
InChIKeyVATHBLFVEIGIQD-UHFFFAOYSA-N
XLogP3.13
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]pyrazine?
The IUPAC name of 2-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]pyrazine (CID 118740092) is 2-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]pyrazine.
What is the SMILES notation for 2-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]pyrazine?
The canonical SMILES for 2-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]pyrazine is Fc1ccc(F)c(CN2CCC(c3cnccn3)CC2)c1.
What is the InChIKey of 2-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]pyrazine?
The InChIKey is VATHBLFVEIGIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3/c17-14-1-2-15(18)13(9-14)11-21-7-3-12(4-8-21)16-10-19-5-6-20-16/h1-2,5-6,9-10,12H,3-4,7-8,11H2.
What are the key properties of 2-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]pyrazine?
2-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]pyrazine has a molecular weight of 289.33 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]pyrazine is sourced from PubChem (CID 118740092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).