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

C18H14F6N4 — CID 58873364

IUPAC6-(trifluoromethyl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1N1CCN(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C18H14F6N4/c19-17(20,21)13-2-4-14(5-3-13)27-7-9-28(10-8-27)16-12(11-25)1-6-15(26-16)18(22,23)24/h1-6H,7-10H2
InChIKeySQHOFOXZGYLUJV-UHFFFAOYSA-N
MW400.33 g/mol
LogP4.32
Rot. Bonds2

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

6-(trifluoromethyl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 58873364) has the molecular formula C18H14F6N4 and a molecular weight of 400.33 g/mol. Its IUPAC name is 6-(trifluoromethyl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(trifluoromethyl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID58873364
Molecular FormulaC18H14F6N4
Molecular Weight400.33 g/mol
Exact Mass400.11
IUPAC Name6-(trifluoromethyl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1N1CCN(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C18H14F6N4/c19-17(20,21)13-2-4-14(5-3-13)27-7-9-28(10-8-27)16-12(11-25)1-6-15(26-16)18(22,23)24/h1-6H,7-10H2
InChIKeySQHOFOXZGYLUJV-UHFFFAOYSA-N
XLogP4.32
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.33
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azetidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 126779013
2-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 10244167
2-[4-(2-fluorophenyl)piperazin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 58873588
2-[4-(cyclopropylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 133381233
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966195
2-(3,4-dimethylpyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79035367
2-(3-aminopyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79876947
2-[4-methyl-4-(methylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 115305660
2-[(3S,4S)-3-tert-butyl-4-hydroxypyrrolidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 70672877
2-(4-hydroxy-4-methylazepan-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 107404487
2-[3-(dimethylamino)pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78089600
2-(4-methyl-3-oxo-1,4-diazepan-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 102846577

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-(trifluoromethyl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pyridine-3-carbonitrile (CID 58873364) is 6-(trifluoromethyl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-(trifluoromethyl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-(trifluoromethyl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pyridine-3-carbonitrile is N#Cc1ccc(C(F)(F)F)nc1N1CCN(c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 6-(trifluoromethyl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is SQHOFOXZGYLUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F6N4/c19-17(20,21)13-2-4-14(5-3-13)27-7-9-28(10-8-27)16-12(11-25)1-6-15(26-16)18(22,23)24/h1-6H,7-10H2.
What are the key properties of 6-(trifluoromethyl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pyridine-3-carbonitrile?
6-(trifluoromethyl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 400.33 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 58873364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).