2,3,5,6-tetramethylpiperidin-4-one

C9H17NO — CID 59354893

IUPAC2,3,5,6-tetramethylpiperidin-4-one
SMILESCC1NC(C)C(C)C(=O)C1C
InChIInChI=1S/C9H17NO/c1-5-7(3)10-8(4)6(2)9(5)11/h5-8,10H,1-4H3
InChIKeyOCCJDRNHSPMMOX-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.21
Rot. Bonds

About 2,3,5,6-tetramethylpiperidin-4-one

2,3,5,6-tetramethylpiperidin-4-one (PubChem CID 59354893) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2,3,5,6-tetramethylpiperidin-4-one.

Molecular Properties

Compound Name2,3,5,6-tetramethylpiperidin-4-one
PubChem CID59354893
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2,3,5,6-tetramethylpiperidin-4-one
SMILESCC1NC(C)C(C)C(=O)C1C
InChIInChI=1S/C9H17NO/c1-5-7(3)10-8(4)6(2)9(5)11/h5-8,10H,1-4H3
InChIKeyOCCJDRNHSPMMOX-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 2,3,5,6-tetramethylpiperidin-4-one?
The IUPAC name of 2,3,5,6-tetramethylpiperidin-4-one (CID 59354893) is 2,3,5,6-tetramethylpiperidin-4-one.
What is the SMILES notation for 2,3,5,6-tetramethylpiperidin-4-one?
The canonical SMILES for 2,3,5,6-tetramethylpiperidin-4-one is CC1NC(C)C(C)C(=O)C1C.
What is the InChIKey of 2,3,5,6-tetramethylpiperidin-4-one?
The InChIKey is OCCJDRNHSPMMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-5-7(3)10-8(4)6(2)9(5)11/h5-8,10H,1-4H3.
What are the key properties of 2,3,5,6-tetramethylpiperidin-4-one?
2,3,5,6-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 2,3,5,6-tetramethylpiperidin-4-one is sourced from PubChem (CID 59354893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).