2,2-diethylpiperidin-4-one

C9H17NO — CID 70182099

IUPAC2,2-diethylpiperidin-4-one
SMILESCCC1(CC)CC(=O)CCN1
InChIInChI=1S/C9H17NO/c1-3-9(4-2)7-8(11)5-6-10-9/h10H,3-7H2,1-2H3
InChIKeyZXCXHXKGIMOAEO-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.50
Rot. Bonds2

About 2,2-diethylpiperidin-4-one

2,2-diethylpiperidin-4-one (PubChem CID 70182099) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2,2-diethylpiperidin-4-one.

Molecular Properties

Compound Name2,2-diethylpiperidin-4-one
PubChem CID70182099
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2,2-diethylpiperidin-4-one
SMILESCCC1(CC)CC(=O)CCN1
InChIInChI=1S/C9H17NO/c1-3-9(4-2)7-8(11)5-6-10-9/h10H,3-7H2,1-2H3
InChIKeyZXCXHXKGIMOAEO-UHFFFAOYSA-N
XLogP1.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethylpiperidin-4-one?
The IUPAC name of 2,2-diethylpiperidin-4-one (CID 70182099) is 2,2-diethylpiperidin-4-one.
What is the SMILES notation for 2,2-diethylpiperidin-4-one?
The canonical SMILES for 2,2-diethylpiperidin-4-one is CCC1(CC)CC(=O)CCN1.
What is the InChIKey of 2,2-diethylpiperidin-4-one?
The InChIKey is ZXCXHXKGIMOAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-9(4-2)7-8(11)5-6-10-9/h10H,3-7H2,1-2H3.
What are the key properties of 2,2-diethylpiperidin-4-one?
2,2-diethylpiperidin-4-one has a molecular weight of 155.24 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethylpiperidin-4-one is sourced from PubChem (CID 70182099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).