2-(2,2,6,6-tetramethylpiperidin-1-ium-1-yl)ethanol

C11H24NO+ — CID 6990518

IUPAC2-(2,2,6,6-tetramethylpiperidin-1-ium-1-yl)ethanol
SMILESCC1(C)CCCC(C)(C)[NH+]1CCO
InChIInChI=1S/C11H23NO/c1-10(2)6-5-7-11(3,4)12(10)8-9-13/h13H,5-9H2,1-4H3/p+1
InChIKeyKHQLVIVUNHQCJT-UHFFFAOYSA-O
MW186.32 g/mol
LogP0.60
Rot. Bonds2

About 2-(2,2,6,6-tetramethylpiperidin-1-ium-1-yl)ethanol

2-(2,2,6,6-tetramethylpiperidin-1-ium-1-yl)ethanol (PubChem CID 6990518) has the molecular formula C11H24NO+ and a molecular weight of 186.32 g/mol. Its IUPAC name is 2-(2,2,6,6-tetramethylpiperidin-1-ium-1-yl)ethanol.

Molecular Properties

Compound Name2-(2,2,6,6-tetramethylpiperidin-1-ium-1-yl)ethanol
PubChem CID6990518
Molecular FormulaC11H24NO+
Molecular Weight186.32 g/mol
Exact Mass186.19
IUPAC Name2-(2,2,6,6-tetramethylpiperidin-1-ium-1-yl)ethanol
SMILESCC1(C)CCCC(C)(C)[NH+]1CCO
InChIInChI=1S/C11H23NO/c1-10(2)6-5-7-11(3,4)12(10)8-9-13/h13H,5-9H2,1-4H3/p+1
InChIKeyKHQLVIVUNHQCJT-UHFFFAOYSA-O
XLogP0.60
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,6,6-tetramethylpiperidin-1-ium-1-yl)ethanol?
The IUPAC name of 2-(2,2,6,6-tetramethylpiperidin-1-ium-1-yl)ethanol (CID 6990518) is 2-(2,2,6,6-tetramethylpiperidin-1-ium-1-yl)ethanol.
What is the SMILES notation for 2-(2,2,6,6-tetramethylpiperidin-1-ium-1-yl)ethanol?
The canonical SMILES for 2-(2,2,6,6-tetramethylpiperidin-1-ium-1-yl)ethanol is CC1(C)CCCC(C)(C)[NH+]1CCO.
What is the InChIKey of 2-(2,2,6,6-tetramethylpiperidin-1-ium-1-yl)ethanol?
The InChIKey is KHQLVIVUNHQCJT-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H23NO/c1-10(2)6-5-7-11(3,4)12(10)8-9-13/h13H,5-9H2,1-4H3/p+1.
What are the key properties of 2-(2,2,6,6-tetramethylpiperidin-1-ium-1-yl)ethanol?
2-(2,2,6,6-tetramethylpiperidin-1-ium-1-yl)ethanol has a molecular weight of 186.32 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,6,6-tetramethylpiperidin-1-ium-1-yl)ethanol is sourced from PubChem (CID 6990518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).