4-phenyl-6-piperazin-1-yl-3-(trifluoromethyl)pyridine-2-carbonitrile

C17H15F3N4 — CID 44610596

IUPAC4-phenyl-6-piperazin-1-yl-3-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1nc(N2CCNCC2)cc(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C17H15F3N4/c18-17(19,20)16-13(12-4-2-1-3-5-12)10-15(23-14(16)11-21)24-8-6-22-7-9-24/h1-5,10,22H,6-9H2
InChIKeyGXMRTAUAFOXUBL-UHFFFAOYSA-N
MW332.33 g/mol
LogP3.05
Rot. Bonds2

About 4-phenyl-6-piperazin-1-yl-3-(trifluoromethyl)pyridine-2-carbonitrile

4-phenyl-6-piperazin-1-yl-3-(trifluoromethyl)pyridine-2-carbonitrile (PubChem CID 44610596) has the molecular formula C17H15F3N4 and a molecular weight of 332.33 g/mol. Its IUPAC name is 4-phenyl-6-piperazin-1-yl-3-(trifluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-phenyl-6-piperazin-1-yl-3-(trifluoromethyl)pyridine-2-carbonitrile
PubChem CID44610596
Molecular FormulaC17H15F3N4
Molecular Weight332.33 g/mol
Exact Mass332.12
IUPAC Name4-phenyl-6-piperazin-1-yl-3-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1nc(N2CCNCC2)cc(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C17H15F3N4/c18-17(19,20)16-13(12-4-2-1-3-5-12)10-15(23-14(16)11-21)24-8-6-22-7-9-24/h1-5,10,22H,6-9H2
InChIKeyGXMRTAUAFOXUBL-UHFFFAOYSA-N
XLogP3.05
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-6-piperazin-1-yl-3-(trifluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 4-phenyl-6-piperazin-1-yl-3-(trifluoromethyl)pyridine-2-carbonitrile (CID 44610596) is 4-phenyl-6-piperazin-1-yl-3-(trifluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 4-phenyl-6-piperazin-1-yl-3-(trifluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 4-phenyl-6-piperazin-1-yl-3-(trifluoromethyl)pyridine-2-carbonitrile is N#Cc1nc(N2CCNCC2)cc(-c2ccccc2)c1C(F)(F)F.
What is the InChIKey of 4-phenyl-6-piperazin-1-yl-3-(trifluoromethyl)pyridine-2-carbonitrile?
The InChIKey is GXMRTAUAFOXUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4/c18-17(19,20)16-13(12-4-2-1-3-5-12)10-15(23-14(16)11-21)24-8-6-22-7-9-24/h1-5,10,22H,6-9H2.
What are the key properties of 4-phenyl-6-piperazin-1-yl-3-(trifluoromethyl)pyridine-2-carbonitrile?
4-phenyl-6-piperazin-1-yl-3-(trifluoromethyl)pyridine-2-carbonitrile has a molecular weight of 332.33 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-6-piperazin-1-yl-3-(trifluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 44610596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).