3,3,5,5-tetramethylpiperidin-4-one

C9H17NO — CID 11535600

IUPAC3,3,5,5-tetramethylpiperidin-4-one
SMILESCC1(C)CNCC(C)(C)C1=O
InChIInChI=1S/C9H17NO/c1-8(2)5-10-6-9(3,4)7(8)11/h10H,5-6H2,1-4H3
InChIKeyVPBZUVLJYCDURE-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.21
Rot. Bonds

About 3,3,5,5-tetramethylpiperidin-4-one

3,3,5,5-tetramethylpiperidin-4-one (PubChem CID 11535600) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 3,3,5,5-tetramethylpiperidin-4-one.

Molecular Properties

Compound Name3,3,5,5-tetramethylpiperidin-4-one
PubChem CID11535600
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name3,3,5,5-tetramethylpiperidin-4-one
SMILESCC1(C)CNCC(C)(C)C1=O
InChIInChI=1S/C9H17NO/c1-8(2)5-10-6-9(3,4)7(8)11/h10H,5-6H2,1-4H3
InChIKeyVPBZUVLJYCDURE-UHFFFAOYSA-N
XLogP1.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetramethylpiperidin-4-one?
The IUPAC name of 3,3,5,5-tetramethylpiperidin-4-one (CID 11535600) is 3,3,5,5-tetramethylpiperidin-4-one.
What is the SMILES notation for 3,3,5,5-tetramethylpiperidin-4-one?
The canonical SMILES for 3,3,5,5-tetramethylpiperidin-4-one is CC1(C)CNCC(C)(C)C1=O.
What is the InChIKey of 3,3,5,5-tetramethylpiperidin-4-one?
The InChIKey is VPBZUVLJYCDURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-8(2)5-10-6-9(3,4)7(8)11/h10H,5-6H2,1-4H3.
What are the key properties of 3,3,5,5-tetramethylpiperidin-4-one?
3,3,5,5-tetramethylpiperidin-4-one has a molecular weight of 155.24 g/mol, XLogP of 1.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetramethylpiperidin-4-one is sourced from PubChem (CID 11535600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).