2,6-diethyl-2,3,6-trimethylpiperidin-4-one

C12H23NO — CID 22182213

IUPAC2,6-diethyl-2,3,6-trimethylpiperidin-4-one
SMILESCCC1(C)CC(=O)C(C)C(C)(CC)N1
InChIInChI=1S/C12H23NO/c1-6-11(4)8-10(14)9(3)12(5,7-2)13-11/h9,13H,6-8H2,1-5H3
InChIKeyTUOLXKNMFCOMGN-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.52
Rot. Bonds2

About 2,6-diethyl-2,3,6-trimethylpiperidin-4-one

2,6-diethyl-2,3,6-trimethylpiperidin-4-one (PubChem CID 22182213) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2,6-diethyl-2,3,6-trimethylpiperidin-4-one.

Molecular Properties

Compound Name2,6-diethyl-2,3,6-trimethylpiperidin-4-one
PubChem CID22182213
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2,6-diethyl-2,3,6-trimethylpiperidin-4-one
SMILESCCC1(C)CC(=O)C(C)C(C)(CC)N1
InChIInChI=1S/C12H23NO/c1-6-11(4)8-10(14)9(3)12(5,7-2)13-11/h9,13H,6-8H2,1-5H3
InChIKeyTUOLXKNMFCOMGN-UHFFFAOYSA-N
XLogP2.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-diethyl-2,3,6-trimethylpiperidin-4-one?
The IUPAC name of 2,6-diethyl-2,3,6-trimethylpiperidin-4-one (CID 22182213) is 2,6-diethyl-2,3,6-trimethylpiperidin-4-one.
What is the SMILES notation for 2,6-diethyl-2,3,6-trimethylpiperidin-4-one?
The canonical SMILES for 2,6-diethyl-2,3,6-trimethylpiperidin-4-one is CCC1(C)CC(=O)C(C)C(C)(CC)N1.
What is the InChIKey of 2,6-diethyl-2,3,6-trimethylpiperidin-4-one?
The InChIKey is TUOLXKNMFCOMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-6-11(4)8-10(14)9(3)12(5,7-2)13-11/h9,13H,6-8H2,1-5H3.
What are the key properties of 2,6-diethyl-2,3,6-trimethylpiperidin-4-one?
2,6-diethyl-2,3,6-trimethylpiperidin-4-one has a molecular weight of 197.32 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-2,3,6-trimethylpiperidin-4-one is sourced from PubChem (CID 22182213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).