6-ethyl-1,2,2-trimethylpiperidin-4-one

C10H19NO — CID 89297596

IUPAC6-ethyl-1,2,2-trimethylpiperidin-4-one
SMILESCCC1CC(=O)CC(C)(C)N1C
InChIInChI=1S/C10H19NO/c1-5-8-6-9(12)7-10(2,3)11(8)4/h8H,5-7H2,1-4H3
InChIKeyNNEDNUOZNQHMFQ-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.84
Rot. Bonds1

About 6-ethyl-1,2,2-trimethylpiperidin-4-one

6-ethyl-1,2,2-trimethylpiperidin-4-one (PubChem CID 89297596) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 6-ethyl-1,2,2-trimethylpiperidin-4-one.

Molecular Properties

Compound Name6-ethyl-1,2,2-trimethylpiperidin-4-one
PubChem CID89297596
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name6-ethyl-1,2,2-trimethylpiperidin-4-one
SMILESCCC1CC(=O)CC(C)(C)N1C
InChIInChI=1S/C10H19NO/c1-5-8-6-9(12)7-10(2,3)11(8)4/h8H,5-7H2,1-4H3
InChIKeyNNEDNUOZNQHMFQ-UHFFFAOYSA-N
XLogP1.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1,2,2-trimethylpiperidin-4-one?
The IUPAC name of 6-ethyl-1,2,2-trimethylpiperidin-4-one (CID 89297596) is 6-ethyl-1,2,2-trimethylpiperidin-4-one.
What is the SMILES notation for 6-ethyl-1,2,2-trimethylpiperidin-4-one?
The canonical SMILES for 6-ethyl-1,2,2-trimethylpiperidin-4-one is CCC1CC(=O)CC(C)(C)N1C.
What is the InChIKey of 6-ethyl-1,2,2-trimethylpiperidin-4-one?
The InChIKey is NNEDNUOZNQHMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-5-8-6-9(12)7-10(2,3)11(8)4/h8H,5-7H2,1-4H3.
What are the key properties of 6-ethyl-1,2,2-trimethylpiperidin-4-one?
6-ethyl-1,2,2-trimethylpiperidin-4-one has a molecular weight of 169.27 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1,2,2-trimethylpiperidin-4-one is sourced from PubChem (CID 89297596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).