(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3-oxobutanoate

C13H23NO4 — CID 57240862

IUPAC(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3-oxobutanoate
SMILESCC(=O)CC(=O)OC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C13H23NO4/c1-9(15)6-11(16)18-10-7-12(2,3)14(17)13(4,5)8-10/h10,17H,6-8H2,1-5H3
InChIKeySTTPAYVFLLZYLU-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.92
Rot. Bonds3

About (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3-oxobutanoate

(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3-oxobutanoate (PubChem CID 57240862) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3-oxobutanoate.

Molecular Properties

Compound Name(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3-oxobutanoate
PubChem CID57240862
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3-oxobutanoate
SMILESCC(=O)CC(=O)OC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C13H23NO4/c1-9(15)6-11(16)18-10-7-12(2,3)14(17)13(4,5)8-10/h10,17H,6-8H2,1-5H3
InChIKeySTTPAYVFLLZYLU-UHFFFAOYSA-N
XLogP1.92
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3-oxobutanoate?
The IUPAC name of (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3-oxobutanoate (CID 57240862) is (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3-oxobutanoate.
What is the SMILES notation for (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3-oxobutanoate?
The canonical SMILES for (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3-oxobutanoate is CC(=O)CC(=O)OC1CC(C)(C)N(O)C(C)(C)C1.
What is the InChIKey of (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3-oxobutanoate?
The InChIKey is STTPAYVFLLZYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-9(15)6-11(16)18-10-7-12(2,3)14(17)13(4,5)8-10/h10,17H,6-8H2,1-5H3.
What are the key properties of (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3-oxobutanoate?
(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3-oxobutanoate has a molecular weight of 257.33 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3-oxobutanoate is sourced from PubChem (CID 57240862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).