2,2-diethyl-1-methylpiperidin-4-one

C10H19NO — CID 125458527

IUPAC2,2-diethyl-1-methylpiperidin-4-one
SMILESCCC1(CC)CC(=O)CCN1C
InChIInChI=1S/C10H19NO/c1-4-10(5-2)8-9(12)6-7-11(10)3/h4-8H2,1-3H3
InChIKeySGAYEMZWYUJKDL-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.84
Rot. Bonds2

About 2,2-diethyl-1-methylpiperidin-4-one

2,2-diethyl-1-methylpiperidin-4-one (PubChem CID 125458527) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2,2-diethyl-1-methylpiperidin-4-one.

Molecular Properties

Compound Name2,2-diethyl-1-methylpiperidin-4-one
PubChem CID125458527
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2,2-diethyl-1-methylpiperidin-4-one
SMILESCCC1(CC)CC(=O)CCN1C
InChIInChI=1S/C10H19NO/c1-4-10(5-2)8-9(12)6-7-11(10)3/h4-8H2,1-3H3
InChIKeySGAYEMZWYUJKDL-UHFFFAOYSA-N
XLogP1.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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 2,2-diethyl-1-methylpiperidin-4-one?
The IUPAC name of 2,2-diethyl-1-methylpiperidin-4-one (CID 125458527) is 2,2-diethyl-1-methylpiperidin-4-one.
What is the SMILES notation for 2,2-diethyl-1-methylpiperidin-4-one?
The canonical SMILES for 2,2-diethyl-1-methylpiperidin-4-one is CCC1(CC)CC(=O)CCN1C.
What is the InChIKey of 2,2-diethyl-1-methylpiperidin-4-one?
The InChIKey is SGAYEMZWYUJKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-10(5-2)8-9(12)6-7-11(10)3/h4-8H2,1-3H3.
What are the key properties of 2,2-diethyl-1-methylpiperidin-4-one?
2,2-diethyl-1-methylpiperidin-4-one has a molecular weight of 169.27 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-1-methylpiperidin-4-one is sourced from PubChem (CID 125458527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).