3-ethyl-3-methylpiperidin-2-one

C8H15NO — CID 10773081

IUPAC3-ethyl-3-methylpiperidin-2-one
SMILESCCC1(C)CCCNC1=O
InChIInChI=1S/C8H15NO/c1-3-8(2)5-4-6-9-7(8)10/h3-6H2,1-2H3,(H,9,10)
InChIKeyCGEGLZGNJGYEFH-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.31
Rot. Bonds1

About 3-ethyl-3-methylpiperidin-2-one

3-ethyl-3-methylpiperidin-2-one (PubChem CID 10773081) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 3-ethyl-3-methylpiperidin-2-one.

Molecular Properties

Compound Name3-ethyl-3-methylpiperidin-2-one
PubChem CID10773081
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name3-ethyl-3-methylpiperidin-2-one
SMILESCCC1(C)CCCNC1=O
InChIInChI=1S/C8H15NO/c1-3-8(2)5-4-6-9-7(8)10/h3-6H2,1-2H3,(H,9,10)
InChIKeyCGEGLZGNJGYEFH-UHFFFAOYSA-N
XLogP1.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methylpiperidin-2-one?
The IUPAC name of 3-ethyl-3-methylpiperidin-2-one (CID 10773081) is 3-ethyl-3-methylpiperidin-2-one.
What is the SMILES notation for 3-ethyl-3-methylpiperidin-2-one?
The canonical SMILES for 3-ethyl-3-methylpiperidin-2-one is CCC1(C)CCCNC1=O.
What is the InChIKey of 3-ethyl-3-methylpiperidin-2-one?
The InChIKey is CGEGLZGNJGYEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-8(2)5-4-6-9-7(8)10/h3-6H2,1-2H3,(H,9,10).
What are the key properties of 3-ethyl-3-methylpiperidin-2-one?
3-ethyl-3-methylpiperidin-2-one has a molecular weight of 141.21 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methylpiperidin-2-one is sourced from PubChem (CID 10773081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).