2-[[3-(dimethylamino)piperidin-1-yl]methyl]-3,3,3-trifluoropropanenitrile

C11H18F3N3 — CID 103367948

IUPAC2-[[3-(dimethylamino)piperidin-1-yl]methyl]-3,3,3-trifluoropropanenitrile
SMILESCN(C)C1CCCN(CC(C#N)C(F)(F)F)C1
InChIInChI=1S/C11H18F3N3/c1-16(2)10-4-3-5-17(8-10)7-9(6-15)11(12,13)14/h9-10H,3-5,7-8H2,1-2H3
InChIKeyFXJJGXCBADANDL-UHFFFAOYSA-N
MW249.28 g/mol
LogP1.71
Rot. Bonds3

About 2-[[3-(dimethylamino)piperidin-1-yl]methyl]-3,3,3-trifluoropropanenitrile

2-[[3-(dimethylamino)piperidin-1-yl]methyl]-3,3,3-trifluoropropanenitrile (PubChem CID 103367948) has the molecular formula C11H18F3N3 and a molecular weight of 249.28 g/mol. Its IUPAC name is 2-[[3-(dimethylamino)piperidin-1-yl]methyl]-3,3,3-trifluoropropanenitrile.

Molecular Properties

Compound Name2-[[3-(dimethylamino)piperidin-1-yl]methyl]-3,3,3-trifluoropropanenitrile
PubChem CID103367948
Molecular FormulaC11H18F3N3
Molecular Weight249.28 g/mol
Exact Mass249.15
IUPAC Name2-[[3-(dimethylamino)piperidin-1-yl]methyl]-3,3,3-trifluoropropanenitrile
SMILESCN(C)C1CCCN(CC(C#N)C(F)(F)F)C1
InChIInChI=1S/C11H18F3N3/c1-16(2)10-4-3-5-17(8-10)7-9(6-15)11(12,13)14/h9-10H,3-5,7-8H2,1-2H3
InChIKeyFXJJGXCBADANDL-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 2-[[3-(dimethylamino)piperidin-1-yl]methyl]-3,3,3-trifluoropropanenitrile?
The IUPAC name of 2-[[3-(dimethylamino)piperidin-1-yl]methyl]-3,3,3-trifluoropropanenitrile (CID 103367948) is 2-[[3-(dimethylamino)piperidin-1-yl]methyl]-3,3,3-trifluoropropanenitrile.
What is the SMILES notation for 2-[[3-(dimethylamino)piperidin-1-yl]methyl]-3,3,3-trifluoropropanenitrile?
The canonical SMILES for 2-[[3-(dimethylamino)piperidin-1-yl]methyl]-3,3,3-trifluoropropanenitrile is CN(C)C1CCCN(CC(C#N)C(F)(F)F)C1.
What is the InChIKey of 2-[[3-(dimethylamino)piperidin-1-yl]methyl]-3,3,3-trifluoropropanenitrile?
The InChIKey is FXJJGXCBADANDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3/c1-16(2)10-4-3-5-17(8-10)7-9(6-15)11(12,13)14/h9-10H,3-5,7-8H2,1-2H3.
What are the key properties of 2-[[3-(dimethylamino)piperidin-1-yl]methyl]-3,3,3-trifluoropropanenitrile?
2-[[3-(dimethylamino)piperidin-1-yl]methyl]-3,3,3-trifluoropropanenitrile 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 2-[[3-(dimethylamino)piperidin-1-yl]methyl]-3,3,3-trifluoropropanenitrile is sourced from PubChem (CID 103367948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).