3-[3-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carbonitrile

C11H11F3N4 — CID 62867592

IUPAC3-[3-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H11F3N4/c12-11(13,14)8-2-1-5-18(7-8)10-9(6-15)16-3-4-17-10/h3-4,8H,1-2,5,7H2
InChIKeyYBSJCCLGXDFYNV-UHFFFAOYSA-N
MW256.23 g/mol
LogP2.13
Rot. Bonds1

About 3-[3-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carbonitrile

3-[3-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carbonitrile (PubChem CID 62867592) has the molecular formula C11H11F3N4 and a molecular weight of 256.23 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carbonitrile
PubChem CID62867592
Molecular FormulaC11H11F3N4
Molecular Weight256.23 g/mol
Exact Mass256.09
IUPAC Name3-[3-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H11F3N4/c12-11(13,14)8-2-1-5-18(7-8)10-9(6-15)16-3-4-17-10/h3-4,8H,1-2,5,7H2
InChIKeyYBSJCCLGXDFYNV-UHFFFAOYSA-N
XLogP2.13
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Modaline
CID 17860
3-(4-Methylpiperazin-1-yl)pyrazine-2,5-dicarbonitrile
CID 57398119
3-[2-[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]ethylamino]pyrazine-2-carbonitrile
CID 71978663
3-(4-(Aminomethyl)piperidin-1-yl)pyrazine-2-carbonitrile
CID 62674127
5-(2-Piperidin-1-ylethylamino)pyrazine-2-carbonitrile
CID 64288873
3-[(4S)-4-propan-2-ylazepan-1-yl]pyrazine-2-carbonitrile
CID 95380576
3-(3-(Fluoromethyl)azetidin-1-yl)pyrazine-2-carbonitrile
CID 119103554
2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-3-methylpyrazine
CID 125143380
3-[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile
CID 129610712
6-[(2S)-2-cyclobutylpiperidin-1-yl]pyrazine-2-carbonitrile
CID 164635980
3-[[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]amino]pyrazine-2-carbonitrile
CID 164640687
5-[(3S)-3-methyl-3-propylpiperidin-1-yl]pyrazine-2-carbonitrile
CID 164642998

Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 3-[3-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carbonitrile (CID 62867592) is 3-[3-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[3-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[3-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carbonitrile is N#Cc1nccnc1N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 3-[3-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is YBSJCCLGXDFYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4/c12-11(13,14)8-2-1-5-18(7-8)10-9(6-15)16-3-4-17-10/h3-4,8H,1-2,5,7H2.
What are the key properties of 3-[3-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carbonitrile?
3-[3-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 256.23 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 62867592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).