2,2,6,6-tetraethyl-1-hydroxypiperidin-4-one

C13H25NO2 — CID 68740914

IUPAC2,2,6,6-tetraethyl-1-hydroxypiperidin-4-one
SMILESCCC1(CC)CC(=O)CC(CC)(CC)N1O
InChIInChI=1S/C13H25NO2/c1-5-12(6-2)9-11(15)10-13(7-3,8-4)14(12)16/h16H,5-10H2,1-4H3
InChIKeyPBKKASIKUZBAJE-UHFFFAOYSA-N
MW227.35 g/mol
LogP3.16
Rot. Bonds4

About 2,2,6,6-tetraethyl-1-hydroxypiperidin-4-one

2,2,6,6-tetraethyl-1-hydroxypiperidin-4-one (PubChem CID 68740914) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2,2,6,6-tetraethyl-1-hydroxypiperidin-4-one.

Molecular Properties

Compound Name2,2,6,6-tetraethyl-1-hydroxypiperidin-4-one
PubChem CID68740914
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2,2,6,6-tetraethyl-1-hydroxypiperidin-4-one
SMILESCCC1(CC)CC(=O)CC(CC)(CC)N1O
InChIInChI=1S/C13H25NO2/c1-5-12(6-2)9-11(15)10-13(7-3,8-4)14(12)16/h16H,5-10H2,1-4H3
InChIKeyPBKKASIKUZBAJE-UHFFFAOYSA-N
XLogP3.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetraethyl-1-hydroxypiperidin-4-one?
The IUPAC name of 2,2,6,6-tetraethyl-1-hydroxypiperidin-4-one (CID 68740914) is 2,2,6,6-tetraethyl-1-hydroxypiperidin-4-one.
What is the SMILES notation for 2,2,6,6-tetraethyl-1-hydroxypiperidin-4-one?
The canonical SMILES for 2,2,6,6-tetraethyl-1-hydroxypiperidin-4-one is CCC1(CC)CC(=O)CC(CC)(CC)N1O.
What is the InChIKey of 2,2,6,6-tetraethyl-1-hydroxypiperidin-4-one?
The InChIKey is PBKKASIKUZBAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-5-12(6-2)9-11(15)10-13(7-3,8-4)14(12)16/h16H,5-10H2,1-4H3.
What are the key properties of 2,2,6,6-tetraethyl-1-hydroxypiperidin-4-one?
2,2,6,6-tetraethyl-1-hydroxypiperidin-4-one has a molecular weight of 227.35 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetraethyl-1-hydroxypiperidin-4-one is sourced from PubChem (CID 68740914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).