3,3,3-trifluoro-2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]propanenitrile

C11H18F3N3 — CID 103367866

IUPAC3,3,3-trifluoro-2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]propanenitrile
SMILESCN1CCCC(N(C)CC(C#N)C(F)(F)F)C1
InChIInChI=1S/C11H18F3N3/c1-16-5-3-4-10(8-16)17(2)7-9(6-15)11(12,13)14/h9-10H,3-5,7-8H2,1-2H3
InChIKeyRFAHWYWURINXKV-UHFFFAOYSA-N
MW249.28 g/mol
LogP1.71
Rot. Bonds3

About 3,3,3-trifluoro-2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]propanenitrile

3,3,3-trifluoro-2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]propanenitrile (PubChem CID 103367866) has the molecular formula C11H18F3N3 and a molecular weight of 249.28 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]propanenitrile.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]propanenitrile
PubChem CID103367866
Molecular FormulaC11H18F3N3
Molecular Weight249.28 g/mol
Exact Mass249.15
IUPAC Name3,3,3-trifluoro-2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]propanenitrile
SMILESCN1CCCC(N(C)CC(C#N)C(F)(F)F)C1
InChIInChI=1S/C11H18F3N3/c1-16-5-3-4-10(8-16)17(2)7-9(6-15)11(12,13)14/h9-10H,3-5,7-8H2,1-2H3
InChIKeyRFAHWYWURINXKV-UHFFFAOYSA-N
XLogP1.71
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]propanenitrile?
The IUPAC name of 3,3,3-trifluoro-2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]propanenitrile (CID 103367866) is 3,3,3-trifluoro-2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]propanenitrile.
What is the SMILES notation for 3,3,3-trifluoro-2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]propanenitrile?
The canonical SMILES for 3,3,3-trifluoro-2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]propanenitrile is CN1CCCC(N(C)CC(C#N)C(F)(F)F)C1.
What is the InChIKey of 3,3,3-trifluoro-2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]propanenitrile?
The InChIKey is RFAHWYWURINXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3/c1-16-5-3-4-10(8-16)17(2)7-9(6-15)11(12,13)14/h9-10H,3-5,7-8H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]propanenitrile?
3,3,3-trifluoro-2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]propanenitrile has a molecular weight of 249.28 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]propanenitrile is sourced from PubChem (CID 103367866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).