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

C17H15F3N4 — CID 44625997

IUPAC5-phenyl-3-piperazin-1-yl-6-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1nc(C(F)(F)F)c(-c2ccccc2)cc1N1CCNCC1
InChIInChI=1S/C17H15F3N4/c18-17(19,20)16-13(12-4-2-1-3-5-12)10-15(14(11-21)23-16)24-8-6-22-7-9-24/h1-5,10,22H,6-9H2
InChIKeyIQSOCUBEKFSFIH-UHFFFAOYSA-N
MW332.33 g/mol
LogP3.05
Rot. Bonds2

About 5-phenyl-3-piperazin-1-yl-6-(trifluoromethyl)pyridine-2-carbonitrile

5-phenyl-3-piperazin-1-yl-6-(trifluoromethyl)pyridine-2-carbonitrile (PubChem CID 44625997) has the molecular formula C17H15F3N4 and a molecular weight of 332.33 g/mol. Its IUPAC name is 5-phenyl-3-piperazin-1-yl-6-(trifluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-phenyl-3-piperazin-1-yl-6-(trifluoromethyl)pyridine-2-carbonitrile
PubChem CID44625997
Molecular FormulaC17H15F3N4
Molecular Weight332.33 g/mol
Exact Mass332.12
IUPAC Name5-phenyl-3-piperazin-1-yl-6-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1nc(C(F)(F)F)c(-c2ccccc2)cc1N1CCNCC1
InChIInChI=1S/C17H15F3N4/c18-17(19,20)16-13(12-4-2-1-3-5-12)10-15(14(11-21)23-16)24-8-6-22-7-9-24/h1-5,10,22H,6-9H2
InChIKeyIQSOCUBEKFSFIH-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 5-phenyl-3-piperazin-1-yl-6-(trifluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 5-phenyl-3-piperazin-1-yl-6-(trifluoromethyl)pyridine-2-carbonitrile (CID 44625997) is 5-phenyl-3-piperazin-1-yl-6-(trifluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-phenyl-3-piperazin-1-yl-6-(trifluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 5-phenyl-3-piperazin-1-yl-6-(trifluoromethyl)pyridine-2-carbonitrile is N#Cc1nc(C(F)(F)F)c(-c2ccccc2)cc1N1CCNCC1.
What is the InChIKey of 5-phenyl-3-piperazin-1-yl-6-(trifluoromethyl)pyridine-2-carbonitrile?
The InChIKey is IQSOCUBEKFSFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4/c18-17(19,20)16-13(12-4-2-1-3-5-12)10-15(14(11-21)23-16)24-8-6-22-7-9-24/h1-5,10,22H,6-9H2.
What are the key properties of 5-phenyl-3-piperazin-1-yl-6-(trifluoromethyl)pyridine-2-carbonitrile?
5-phenyl-3-piperazin-1-yl-6-(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 5-phenyl-3-piperazin-1-yl-6-(trifluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 44625997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).