6-(3,3-difluoropiperidin-1-yl)-N-methylpyridin-3-amine;ethane

C13H21F2N3 — CID 177223368

IUPAC6-(3,3-difluoropiperidin-1-yl)-N-methylpyridin-3-amine;ethane
SMILESCC.CNc1ccc(N2CCCC(F)(F)C2)nc1
InChIInChI=1S/C11H15F2N3.C2H6/c1-14-9-3-4-10(15-7-9)16-6-2-5-11(12,13)8-16;1-2/h3-4,7,14H,2,5-6,8H2,1H3;1-2H3
InChIKeyWYGHIGMOUXTBTK-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.38
Rot. Bonds2

About 6-(3,3-difluoropiperidin-1-yl)-N-methylpyridin-3-amine;ethane

6-(3,3-difluoropiperidin-1-yl)-N-methylpyridin-3-amine;ethane (PubChem CID 177223368) has the molecular formula C13H21F2N3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 6-(3,3-difluoropiperidin-1-yl)-N-methylpyridin-3-amine;ethane.

Molecular Properties

Compound Name6-(3,3-difluoropiperidin-1-yl)-N-methylpyridin-3-amine;ethane
PubChem CID177223368
Molecular FormulaC13H21F2N3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name6-(3,3-difluoropiperidin-1-yl)-N-methylpyridin-3-amine;ethane
SMILESCC.CNc1ccc(N2CCCC(F)(F)C2)nc1
InChIInChI=1S/C11H15F2N3.C2H6/c1-14-9-3-4-10(15-7-9)16-6-2-5-11(12,13)8-16;1-2/h3-4,7,14H,2,5-6,8H2,1H3;1-2H3
InChIKeyWYGHIGMOUXTBTK-UHFFFAOYSA-N
XLogP3.38
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3,3-difluoropiperidin-1-yl)-3-iodoimidazo[1,2-b]pyridazine
CID 170838751
6-(3,3-difluoropyrrolidin-1-yl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide
CID 143994451
N-ethyl-6-pyrrolidin-1-ylpyridin-3-amine
CID 43689606
(6-piperidin-1-yl-3-pyridinyl)hydrazine
CID 55281305
6-(2-butyl-7-azaspiro[3.5]nonan-7-yl)-N-methylpyridin-3-amine
CID 144600690
2,2-difluoro-5-[5-(trifluoromethyl)-2-pyridinyl]-5-azaspiro[2.5]octane
CID 175648534
6-(3,3-difluoroazetidin-1-yl)pyridine-3-carboxylic acid
CID 121200824
N-(1-ethoxypropan-2-yl)-6-pyrrolidin-1-ylpyridin-3-amine
CID 115922081
6-(4,4-difluoropiperidin-1-yl)-N-[(4-fluorophenyl)methyl]pyridin-3-amine
CID 155021554
N-[1-(furan-2-yl)ethyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 43689581
N-(2-methylbutyl)-6-pyrrolidin-1-ylpyridin-3-amine
CID 43689479
1-(5-chloro-2-pyridinyl)-3-methylpiperidin-3-ol
CID 115871312

Frequently Asked Questions

What is the IUPAC name of 6-(3,3-difluoropiperidin-1-yl)-N-methylpyridin-3-amine;ethane?
The IUPAC name of 6-(3,3-difluoropiperidin-1-yl)-N-methylpyridin-3-amine;ethane (CID 177223368) is 6-(3,3-difluoropiperidin-1-yl)-N-methylpyridin-3-amine;ethane.
What is the SMILES notation for 6-(3,3-difluoropiperidin-1-yl)-N-methylpyridin-3-amine;ethane?
The canonical SMILES for 6-(3,3-difluoropiperidin-1-yl)-N-methylpyridin-3-amine;ethane is CC.CNc1ccc(N2CCCC(F)(F)C2)nc1.
What is the InChIKey of 6-(3,3-difluoropiperidin-1-yl)-N-methylpyridin-3-amine;ethane?
The InChIKey is WYGHIGMOUXTBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3.C2H6/c1-14-9-3-4-10(15-7-9)16-6-2-5-11(12,13)8-16;1-2/h3-4,7,14H,2,5-6,8H2,1H3;1-2H3.
What are the key properties of 6-(3,3-difluoropiperidin-1-yl)-N-methylpyridin-3-amine;ethane?
6-(3,3-difluoropiperidin-1-yl)-N-methylpyridin-3-amine;ethane has a molecular weight of 257.33 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-difluoropiperidin-1-yl)-N-methylpyridin-3-amine;ethane is sourced from PubChem (CID 177223368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).