1-ethyl-5-methylpiperidin-3-one

C8H15NO — CID 3950391

IUPAC1-ethyl-5-methylpiperidin-3-one
SMILESCCN1CC(=O)CC(C)C1
InChIInChI=1S/C8H15NO/c1-3-9-5-7(2)4-8(10)6-9/h7H,3-6H2,1-2H3
InChIKeyQVCYKMDRLZHVCA-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.92
Rot. Bonds1

About 1-ethyl-5-methylpiperidin-3-one

1-ethyl-5-methylpiperidin-3-one (PubChem CID 3950391) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-ethyl-5-methylpiperidin-3-one.

Molecular Properties

Compound Name1-ethyl-5-methylpiperidin-3-one
PubChem CID3950391
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-ethyl-5-methylpiperidin-3-one
SMILESCCN1CC(=O)CC(C)C1
InChIInChI=1S/C8H15NO/c1-3-9-5-7(2)4-8(10)6-9/h7H,3-6H2,1-2H3
InChIKeyQVCYKMDRLZHVCA-UHFFFAOYSA-N
XLogP0.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methylpiperidin-3-one?
The IUPAC name of 1-ethyl-5-methylpiperidin-3-one (CID 3950391) is 1-ethyl-5-methylpiperidin-3-one.
What is the SMILES notation for 1-ethyl-5-methylpiperidin-3-one?
The canonical SMILES for 1-ethyl-5-methylpiperidin-3-one is CCN1CC(=O)CC(C)C1.
What is the InChIKey of 1-ethyl-5-methylpiperidin-3-one?
The InChIKey is QVCYKMDRLZHVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-9-5-7(2)4-8(10)6-9/h7H,3-6H2,1-2H3.
What are the key properties of 1-ethyl-5-methylpiperidin-3-one?
1-ethyl-5-methylpiperidin-3-one has a molecular weight of 141.21 g/mol, XLogP of 0.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methylpiperidin-3-one is sourced from PubChem (CID 3950391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).