1,2-diethyl-2,3,3-trimethylpiperidin-4-one

C12H23NO — CID 70617371

IUPAC1,2-diethyl-2,3,3-trimethylpiperidin-4-one
SMILESCCN1CCC(=O)C(C)(C)C1(C)CC
InChIInChI=1S/C12H23NO/c1-6-12(5)11(3,4)10(14)8-9-13(12)7-2/h6-9H2,1-5H3
InChIKeyMDDVWRNKPFNKGL-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.48
Rot. Bonds2

About 1,2-diethyl-2,3,3-trimethylpiperidin-4-one

1,2-diethyl-2,3,3-trimethylpiperidin-4-one (PubChem CID 70617371) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1,2-diethyl-2,3,3-trimethylpiperidin-4-one.

Molecular Properties

Compound Name1,2-diethyl-2,3,3-trimethylpiperidin-4-one
PubChem CID70617371
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1,2-diethyl-2,3,3-trimethylpiperidin-4-one
SMILESCCN1CCC(=O)C(C)(C)C1(C)CC
InChIInChI=1S/C12H23NO/c1-6-12(5)11(3,4)10(14)8-9-13(12)7-2/h6-9H2,1-5H3
InChIKeyMDDVWRNKPFNKGL-UHFFFAOYSA-N
XLogP2.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,2,6,6-Pentamethyl-4-piperidone
CID 241955
1-Tert-butyl-2,3-dimethylpiperidin-4-one
CID 4434865
1,2,2-Trimethylpiperidin-4-one
CID 12231941
1-Methyl-3-propylpiperidin-4-one
CID 22126837
1,2,2-Trimethylpiperidin-4-one hydrochloride
CID 134691087
1,3-Dimethyl-3-(2'-cyanoethyl)piperid-4-one
CID 587646
1-t-Butyl-5-t-butyl-3-piperidone
CID 3863146
5-Tert-butyl-1,2-dimethylpiperidin-3-one
CID 3941932
1,2,2,3,5,6,6-Heptamethylpiperidin-4-one
CID 14811804
Tetramethyl-4-piperidone
CID 20213770
1,2,6-Tritert-butylpiperidin-4-one
CID 71496404
1,2,6-Tritert-butyl-3-methylpiperidin-4-one
CID 76333573

Frequently Asked Questions

What is the IUPAC name of 1,2-diethyl-2,3,3-trimethylpiperidin-4-one?
The IUPAC name of 1,2-diethyl-2,3,3-trimethylpiperidin-4-one (CID 70617371) is 1,2-diethyl-2,3,3-trimethylpiperidin-4-one.
What is the SMILES notation for 1,2-diethyl-2,3,3-trimethylpiperidin-4-one?
The canonical SMILES for 1,2-diethyl-2,3,3-trimethylpiperidin-4-one is CCN1CCC(=O)C(C)(C)C1(C)CC.
What is the InChIKey of 1,2-diethyl-2,3,3-trimethylpiperidin-4-one?
The InChIKey is MDDVWRNKPFNKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-6-12(5)11(3,4)10(14)8-9-13(12)7-2/h6-9H2,1-5H3.
What are the key properties of 1,2-diethyl-2,3,3-trimethylpiperidin-4-one?
1,2-diethyl-2,3,3-trimethylpiperidin-4-one has a molecular weight of 197.32 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethyl-2,3,3-trimethylpiperidin-4-one is sourced from PubChem (CID 70617371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).