3-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]pyrazine-2-carbonitrile

C14H18F3N5 — CID 71978663

IUPAC3-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1NCCC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H18F3N5/c15-14(16,17)10-22-7-2-11(3-8-22)1-4-20-13-12(9-18)19-5-6-21-13/h5-6,11H,1-4,7-8,10H2,(H,20,21)
InChIKeyOPMVWKANZUWTHQ-UHFFFAOYSA-N
MW313.33 g/mol
LogP2.42
Rot. Bonds5

About 3-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]pyrazine-2-carbonitrile

3-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]pyrazine-2-carbonitrile (PubChem CID 71978663) has the molecular formula C14H18F3N5 and a molecular weight of 313.33 g/mol. Its IUPAC name is 3-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]pyrazine-2-carbonitrile
PubChem CID71978663
Molecular FormulaC14H18F3N5
Molecular Weight313.33 g/mol
Exact Mass313.15
IUPAC Name3-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1NCCC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H18F3N5/c15-14(16,17)10-22-7-2-11(3-8-22)1-4-20-13-12(9-18)19-5-6-21-13/h5-6,11H,1-4,7-8,10H2,(H,20,21)
InChIKeyOPMVWKANZUWTHQ-UHFFFAOYSA-N
XLogP2.42
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]pyrazine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]pyrazine-2-carbonitrile (CID 71978663) is 3-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]pyrazine-2-carbonitrile is N#Cc1nccnc1NCCC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 3-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]pyrazine-2-carbonitrile?
The InChIKey is OPMVWKANZUWTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N5/c15-14(16,17)10-22-7-2-11(3-8-22)1-4-20-13-12(9-18)19-5-6-21-13/h5-6,11H,1-4,7-8,10H2,(H,20,21).
What are the key properties of 3-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]pyrazine-2-carbonitrile?
3-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]pyrazine-2-carbonitrile has a molecular weight of 313.33 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 71978663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).