2-methyl-2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanenitrile

C14H17F3N4 — CID 63344174

IUPAC2-methyl-2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanenitrile
SMILESCC(C)(C#N)N1CCN(c2cccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C14H17F3N4/c1-13(2,10-18)21-8-6-20(7-9-21)12-5-3-4-11(19-12)14(15,16)17/h3-5H,6-9H2,1-2H3
InChIKeyQHNWUUWJYJOKBT-UHFFFAOYSA-N
MW298.31 g/mol
LogP2.52
Rot. Bonds2

About 2-methyl-2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanenitrile

2-methyl-2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanenitrile (PubChem CID 63344174) has the molecular formula C14H17F3N4 and a molecular weight of 298.31 g/mol. Its IUPAC name is 2-methyl-2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanenitrile.

Molecular Properties

Compound Name2-methyl-2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanenitrile
PubChem CID63344174
Molecular FormulaC14H17F3N4
Molecular Weight298.31 g/mol
Exact Mass298.14
IUPAC Name2-methyl-2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanenitrile
SMILESCC(C)(C#N)N1CCN(c2cccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C14H17F3N4/c1-13(2,10-18)21-8-6-20(7-9-21)12-5-3-4-11(19-12)14(15,16)17/h3-5H,6-9H2,1-2H3
InChIKeyQHNWUUWJYJOKBT-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanenitrile?
The IUPAC name of 2-methyl-2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanenitrile (CID 63344174) is 2-methyl-2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanenitrile.
What is the SMILES notation for 2-methyl-2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanenitrile?
The canonical SMILES for 2-methyl-2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanenitrile is CC(C)(C#N)N1CCN(c2cccc(C(F)(F)F)n2)CC1.
What is the InChIKey of 2-methyl-2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanenitrile?
The InChIKey is QHNWUUWJYJOKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4/c1-13(2,10-18)21-8-6-20(7-9-21)12-5-3-4-11(19-12)14(15,16)17/h3-5H,6-9H2,1-2H3.
What are the key properties of 2-methyl-2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanenitrile?
2-methyl-2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanenitrile has a molecular weight of 298.31 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanenitrile is sourced from PubChem (CID 63344174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).