2-[3,3-difluoro-5-methyl-4-(methylamino)piperidin-1-yl]ethanol;ethane

C11H24F2N2O — CID 169135144

IUPAC2-[3,3-difluoro-5-methyl-4-(methylamino)piperidin-1-yl]ethanol;ethane
SMILESCC.CNC1C(C)CN(CCO)CC1(F)F
InChIInChI=1S/C9H18F2N2O.C2H6/c1-7-5-13(3-4-14)6-9(10,11)8(7)12-2;1-2/h7-8,12,14H,3-6H2,1-2H3;1-2H3
InChIKeyHAIYIQYAWRIZPI-UHFFFAOYSA-N
MW238.32 g/mol
LogP1.18
Rot. Bonds3

About 2-[3,3-difluoro-5-methyl-4-(methylamino)piperidin-1-yl]ethanol;ethane

2-[3,3-difluoro-5-methyl-4-(methylamino)piperidin-1-yl]ethanol;ethane (PubChem CID 169135144) has the molecular formula C11H24F2N2O and a molecular weight of 238.32 g/mol. Its IUPAC name is 2-[3,3-difluoro-5-methyl-4-(methylamino)piperidin-1-yl]ethanol;ethane.

Molecular Properties

Compound Name2-[3,3-difluoro-5-methyl-4-(methylamino)piperidin-1-yl]ethanol;ethane
PubChem CID169135144
Molecular FormulaC11H24F2N2O
Molecular Weight238.32 g/mol
Exact Mass238.19
IUPAC Name2-[3,3-difluoro-5-methyl-4-(methylamino)piperidin-1-yl]ethanol;ethane
SMILESCC.CNC1C(C)CN(CCO)CC1(F)F
InChIInChI=1S/C9H18F2N2O.C2H6/c1-7-5-13(3-4-14)6-9(10,11)8(7)12-2;1-2/h7-8,12,14H,3-6H2,1-2H3;1-2H3
InChIKeyHAIYIQYAWRIZPI-UHFFFAOYSA-N
XLogP1.18
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3,3-difluoro-5-methyl-4-(methylamino)piperidin-1-yl]ethanol;ethane?
The IUPAC name of 2-[3,3-difluoro-5-methyl-4-(methylamino)piperidin-1-yl]ethanol;ethane (CID 169135144) is 2-[3,3-difluoro-5-methyl-4-(methylamino)piperidin-1-yl]ethanol;ethane.
What is the SMILES notation for 2-[3,3-difluoro-5-methyl-4-(methylamino)piperidin-1-yl]ethanol;ethane?
The canonical SMILES for 2-[3,3-difluoro-5-methyl-4-(methylamino)piperidin-1-yl]ethanol;ethane is CC.CNC1C(C)CN(CCO)CC1(F)F.
What is the InChIKey of 2-[3,3-difluoro-5-methyl-4-(methylamino)piperidin-1-yl]ethanol;ethane?
The InChIKey is HAIYIQYAWRIZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O.C2H6/c1-7-5-13(3-4-14)6-9(10,11)8(7)12-2;1-2/h7-8,12,14H,3-6H2,1-2H3;1-2H3.
What are the key properties of 2-[3,3-difluoro-5-methyl-4-(methylamino)piperidin-1-yl]ethanol;ethane?
2-[3,3-difluoro-5-methyl-4-(methylamino)piperidin-1-yl]ethanol;ethane has a molecular weight of 238.32 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,3-difluoro-5-methyl-4-(methylamino)piperidin-1-yl]ethanol;ethane is sourced from PubChem (CID 169135144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).