2,6-dimethyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-3-carbonitrile

C14H17F3N4 — CID 81060606

IUPAC2,6-dimethyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESCc1cc(N2CCN(CC(F)(F)F)CC2)c(C#N)c(C)n1
InChIInChI=1S/C14H17F3N4/c1-10-7-13(12(8-18)11(2)19-10)21-5-3-20(4-6-21)9-14(15,16)17/h7H,3-6,9H2,1-2H3
InChIKeyJACMKHSTGSRZMM-UHFFFAOYSA-N
MW298.31 g/mol
LogP2.25
Rot. Bonds2

About 2,6-dimethyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-3-carbonitrile

2,6-dimethyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 81060606) has the molecular formula C14H17F3N4 and a molecular weight of 298.31 g/mol. Its IUPAC name is 2,6-dimethyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,6-dimethyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID81060606
Molecular FormulaC14H17F3N4
Molecular Weight298.31 g/mol
Exact Mass298.14
IUPAC Name2,6-dimethyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESCc1cc(N2CCN(CC(F)(F)F)CC2)c(C#N)c(C)n1
InChIInChI=1S/C14H17F3N4/c1-10-7-13(12(8-18)11(2)19-10)21-5-3-20(4-6-21)9-14(15,16)17/h7H,3-6,9H2,1-2H3
InChIKeyJACMKHSTGSRZMM-UHFFFAOYSA-N
XLogP2.25
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,6-dimethyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-3-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 2,6-dimethyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2,6-dimethyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-3-carbonitrile (CID 81060606) is 2,6-dimethyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2,6-dimethyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2,6-dimethyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-3-carbonitrile is Cc1cc(N2CCN(CC(F)(F)F)CC2)c(C#N)c(C)n1.
What is the InChIKey of 2,6-dimethyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is JACMKHSTGSRZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4/c1-10-7-13(12(8-18)11(2)19-10)21-5-3-20(4-6-21)9-14(15,16)17/h7H,3-6,9H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-3-carbonitrile?
2,6-dimethyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 298.31 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 81060606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).