5-[4-(4-fluorophenyl)piperidin-1-yl]pyrazine-2-carbonitrile

C16H15FN4 — CID 133485866

IUPAC5-[4-(4-fluorophenyl)piperidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(N2CCC(c3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C16H15FN4/c17-14-3-1-12(2-4-14)13-5-7-21(8-6-13)16-11-19-15(9-18)10-20-16/h1-4,10-11,13H,5-8H2
InChIKeyIYQBENUDEJFPND-UHFFFAOYSA-N
MW282.32 g/mol
LogP2.87
Rot. Bonds2

About 5-[4-(4-fluorophenyl)piperidin-1-yl]pyrazine-2-carbonitrile

5-[4-(4-fluorophenyl)piperidin-1-yl]pyrazine-2-carbonitrile (PubChem CID 133485866) has the molecular formula C16H15FN4 and a molecular weight of 282.32 g/mol. Its IUPAC name is 5-[4-(4-fluorophenyl)piperidin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[4-(4-fluorophenyl)piperidin-1-yl]pyrazine-2-carbonitrile
PubChem CID133485866
Molecular FormulaC16H15FN4
Molecular Weight282.32 g/mol
Exact Mass282.13
IUPAC Name5-[4-(4-fluorophenyl)piperidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(N2CCC(c3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C16H15FN4/c17-14-3-1-12(2-4-14)13-5-7-21(8-6-13)16-11-19-15(9-18)10-20-16/h1-4,10-11,13H,5-8H2
InChIKeyIYQBENUDEJFPND-UHFFFAOYSA-N
XLogP2.87
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-fluorophenyl)piperidin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 5-[4-(4-fluorophenyl)piperidin-1-yl]pyrazine-2-carbonitrile (CID 133485866) is 5-[4-(4-fluorophenyl)piperidin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[4-(4-fluorophenyl)piperidin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[4-(4-fluorophenyl)piperidin-1-yl]pyrazine-2-carbonitrile is N#Cc1cnc(N2CCC(c3ccc(F)cc3)CC2)cn1.
What is the InChIKey of 5-[4-(4-fluorophenyl)piperidin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is IYQBENUDEJFPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4/c17-14-3-1-12(2-4-14)13-5-7-21(8-6-13)16-11-19-15(9-18)10-20-16/h1-4,10-11,13H,5-8H2.
What are the key properties of 5-[4-(4-fluorophenyl)piperidin-1-yl]pyrazine-2-carbonitrile?
5-[4-(4-fluorophenyl)piperidin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 282.32 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-fluorophenyl)piperidin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 133485866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).