2-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-3,3,3-trifluoropropanenitrile

C11H18F3N3 — CID 103367485

IUPAC2-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-3,3,3-trifluoropropanenitrile
SMILESCC1CCCC(C)N1NCC(C#N)C(F)(F)F
InChIInChI=1S/C11H18F3N3/c1-8-4-3-5-9(2)17(8)16-7-10(6-15)11(12,13)14/h8-10,16H,3-5,7H2,1-2H3
InChIKeyFHJMSXNULSIIDG-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.46
Rot. Bonds3

About 2-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-3,3,3-trifluoropropanenitrile

2-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-3,3,3-trifluoropropanenitrile (PubChem CID 103367485) has the molecular formula C11H18F3N3 and a molecular weight of 249.28 g/mol. Its IUPAC name is 2-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-3,3,3-trifluoropropanenitrile.

Molecular Properties

Compound Name2-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-3,3,3-trifluoropropanenitrile
PubChem CID103367485
Molecular FormulaC11H18F3N3
Molecular Weight249.28 g/mol
Exact Mass249.15
IUPAC Name2-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-3,3,3-trifluoropropanenitrile
SMILESCC1CCCC(C)N1NCC(C#N)C(F)(F)F
InChIInChI=1S/C11H18F3N3/c1-8-4-3-5-9(2)17(8)16-7-10(6-15)11(12,13)14/h8-10,16H,3-5,7H2,1-2H3
InChIKeyFHJMSXNULSIIDG-UHFFFAOYSA-N
XLogP2.46
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dimethyl-N-(4,4,4-trifluorobutyl)piperidin-1-amine
CID 83014194
2,6-dimethyl-N-(2,2,2-trifluoroethyl)piperidin-1-amine
CID 83014714
N-(3-fluoropropyl)-2,6-dimethylpiperidin-1-amine
CID 83014822
N-(2,2-difluoroethyl)-2,6-dimethylpiperidin-1-amine
CID 83021009
N-(2-fluoroethyl)-2,6-dimethylpiperidin-1-amine
CID 83021116
2,6-dimethyl-N-(3,3,3-trifluoropropyl)piperidin-1-amine
CID 83021439
N-(1,1-difluoropropan-2-yl)piperidin-1-amine
CID 102869960
N-(1,1-difluoropropan-2-yl)-2,6-dimethylpiperidin-1-amine
CID 102869961
3,3,3-Trifluoro-2-[(piperidin-1-ylamino)methyl]propanenitrile
CID 103367484
2,6-dimethyl-N-(6,6,6-trifluorohexan-2-yl)piperidin-1-amine
CID 113533858
N-[(3,3-difluorocyclopentyl)methyl]-2,6-dimethylpiperidin-1-amine
CID 114223902
N-[(3,3-difluorocyclohexyl)methyl]-2,6-dimethylpiperidin-1-amine
CID 114223903

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-3,3,3-trifluoropropanenitrile?
The IUPAC name of 2-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-3,3,3-trifluoropropanenitrile (CID 103367485) is 2-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-3,3,3-trifluoropropanenitrile.
What is the SMILES notation for 2-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-3,3,3-trifluoropropanenitrile?
The canonical SMILES for 2-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-3,3,3-trifluoropropanenitrile is CC1CCCC(C)N1NCC(C#N)C(F)(F)F.
What is the InChIKey of 2-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-3,3,3-trifluoropropanenitrile?
The InChIKey is FHJMSXNULSIIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3/c1-8-4-3-5-9(2)17(8)16-7-10(6-15)11(12,13)14/h8-10,16H,3-5,7H2,1-2H3.
What are the key properties of 2-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-3,3,3-trifluoropropanenitrile?
2-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-3,3,3-trifluoropropanenitrile has a molecular weight of 249.28 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-3,3,3-trifluoropropanenitrile is sourced from PubChem (CID 103367485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).