2,6-diethyl-1-hydroxy-2,6-dimethylpiperidin-4-one

C11H21NO2 — CID 22341840

IUPAC2,6-diethyl-1-hydroxy-2,6-dimethylpiperidin-4-one
SMILESCCC1(C)CC(=O)CC(C)(CC)N1O
InChIInChI=1S/C11H21NO2/c1-5-10(3)7-9(13)8-11(4,6-2)12(10)14/h14H,5-8H2,1-4H3
InChIKeyAITHUIZYJPXLNO-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.38
Rot. Bonds2

About 2,6-diethyl-1-hydroxy-2,6-dimethylpiperidin-4-one

2,6-diethyl-1-hydroxy-2,6-dimethylpiperidin-4-one (PubChem CID 22341840) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2,6-diethyl-1-hydroxy-2,6-dimethylpiperidin-4-one.

Molecular Properties

Compound Name2,6-diethyl-1-hydroxy-2,6-dimethylpiperidin-4-one
PubChem CID22341840
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2,6-diethyl-1-hydroxy-2,6-dimethylpiperidin-4-one
SMILESCCC1(C)CC(=O)CC(C)(CC)N1O
InChIInChI=1S/C11H21NO2/c1-5-10(3)7-9(13)8-11(4,6-2)12(10)14/h14H,5-8H2,1-4H3
InChIKeyAITHUIZYJPXLNO-UHFFFAOYSA-N
XLogP2.38
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-diethyl-1-hydroxy-2,6-dimethylpiperidin-4-one?
The IUPAC name of 2,6-diethyl-1-hydroxy-2,6-dimethylpiperidin-4-one (CID 22341840) is 2,6-diethyl-1-hydroxy-2,6-dimethylpiperidin-4-one.
What is the SMILES notation for 2,6-diethyl-1-hydroxy-2,6-dimethylpiperidin-4-one?
The canonical SMILES for 2,6-diethyl-1-hydroxy-2,6-dimethylpiperidin-4-one is CCC1(C)CC(=O)CC(C)(CC)N1O.
What is the InChIKey of 2,6-diethyl-1-hydroxy-2,6-dimethylpiperidin-4-one?
The InChIKey is AITHUIZYJPXLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-5-10(3)7-9(13)8-11(4,6-2)12(10)14/h14H,5-8H2,1-4H3.
What are the key properties of 2,6-diethyl-1-hydroxy-2,6-dimethylpiperidin-4-one?
2,6-diethyl-1-hydroxy-2,6-dimethylpiperidin-4-one has a molecular weight of 199.29 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-1-hydroxy-2,6-dimethylpiperidin-4-one is sourced from PubChem (CID 22341840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).