2-(3,3-difluoropiperidin-4-yl)oxy-4-propan-2-ylpyridine;ethane

C15H24F2N2O — CID 176693095

IUPAC2-(3,3-difluoropiperidin-4-yl)oxy-4-propan-2-ylpyridine;ethane
SMILESCC.CC(C)c1ccnc(OC2CCNCC2(F)F)c1
InChIInChI=1S/C13H18F2N2O.C2H6/c1-9(2)10-3-6-17-12(7-10)18-11-4-5-16-8-13(11,14)15;1-2/h3,6-7,9,11,16H,4-5,8H2,1-2H3;1-2H3
InChIKeyWIVGSNCHGRLGPI-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.61
Rot. Bonds3

About 2-(3,3-difluoropiperidin-4-yl)oxy-4-propan-2-ylpyridine;ethane

2-(3,3-difluoropiperidin-4-yl)oxy-4-propan-2-ylpyridine;ethane (PubChem CID 176693095) has the molecular formula C15H24F2N2O and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-(3,3-difluoropiperidin-4-yl)oxy-4-propan-2-ylpyridine;ethane.

Molecular Properties

Compound Name2-(3,3-difluoropiperidin-4-yl)oxy-4-propan-2-ylpyridine;ethane
PubChem CID176693095
Molecular FormulaC15H24F2N2O
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-(3,3-difluoropiperidin-4-yl)oxy-4-propan-2-ylpyridine;ethane
SMILESCC.CC(C)c1ccnc(OC2CCNCC2(F)F)c1
InChIInChI=1S/C13H18F2N2O.C2H6/c1-9(2)10-3-6-17-12(7-10)18-11-4-5-16-8-13(11,14)15;1-2/h3,6-7,9,11,16H,4-5,8H2,1-2H3;1-2H3
InChIKeyWIVGSNCHGRLGPI-UHFFFAOYSA-N
XLogP3.61
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoropiperidin-4-yl)oxy-4-propan-2-ylpyridine;ethane?
The IUPAC name of 2-(3,3-difluoropiperidin-4-yl)oxy-4-propan-2-ylpyridine;ethane (CID 176693095) is 2-(3,3-difluoropiperidin-4-yl)oxy-4-propan-2-ylpyridine;ethane.
What is the SMILES notation for 2-(3,3-difluoropiperidin-4-yl)oxy-4-propan-2-ylpyridine;ethane?
The canonical SMILES for 2-(3,3-difluoropiperidin-4-yl)oxy-4-propan-2-ylpyridine;ethane is CC.CC(C)c1ccnc(OC2CCNCC2(F)F)c1.
What is the InChIKey of 2-(3,3-difluoropiperidin-4-yl)oxy-4-propan-2-ylpyridine;ethane?
The InChIKey is WIVGSNCHGRLGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O.C2H6/c1-9(2)10-3-6-17-12(7-10)18-11-4-5-16-8-13(11,14)15;1-2/h3,6-7,9,11,16H,4-5,8H2,1-2H3;1-2H3.
What are the key properties of 2-(3,3-difluoropiperidin-4-yl)oxy-4-propan-2-ylpyridine;ethane?
2-(3,3-difluoropiperidin-4-yl)oxy-4-propan-2-ylpyridine;ethane has a molecular weight of 286.37 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoropiperidin-4-yl)oxy-4-propan-2-ylpyridine;ethane is sourced from PubChem (CID 176693095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).