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

C16H29NO6 — CID 22986343

IUPAC2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-methylperoxy-4-oxobutanoate
SMILESCOOC(=O)CCC(=O)OCCN1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C16H29NO6/c1-15(2)10-12(18)11-16(3,4)17(15)8-9-22-13(19)6-7-14(20)23-21-5/h12,18H,6-11H2,1-5H3
InChIKeyJUSHMSVLVXNKBI-UHFFFAOYSA-N
MW331.41 g/mol
LogP1.43
Rot. Bonds7

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

2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-methylperoxy-4-oxobutanoate (PubChem CID 22986343) has the molecular formula C16H29NO6 and a molecular weight of 331.41 g/mol. Its IUPAC name is 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-methylperoxy-4-oxobutanoate.

Molecular Properties

Compound Name2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-methylperoxy-4-oxobutanoate
PubChem CID22986343
Molecular FormulaC16H29NO6
Molecular Weight331.41 g/mol
Exact Mass331.20
IUPAC Name2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-methylperoxy-4-oxobutanoate
SMILESCOOC(=O)CCC(=O)OCCN1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C16H29NO6/c1-15(2)10-12(18)11-16(3,4)17(15)8-9-22-13(19)6-7-14(20)23-21-5/h12,18H,6-11H2,1-5H3
InChIKeyJUSHMSVLVXNKBI-UHFFFAOYSA-N
XLogP1.43
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-methylperoxy-4-oxobutanoate?
The IUPAC name of 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-methylperoxy-4-oxobutanoate (CID 22986343) is 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-methylperoxy-4-oxobutanoate.
What is the SMILES notation for 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-methylperoxy-4-oxobutanoate?
The canonical SMILES for 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-methylperoxy-4-oxobutanoate is COOC(=O)CCC(=O)OCCN1C(C)(C)CC(O)CC1(C)C.
What is the InChIKey of 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-methylperoxy-4-oxobutanoate?
The InChIKey is JUSHMSVLVXNKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO6/c1-15(2)10-12(18)11-16(3,4)17(15)8-9-22-13(19)6-7-14(20)23-21-5/h12,18H,6-11H2,1-5H3.
What are the key properties of 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-methylperoxy-4-oxobutanoate?
2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-methylperoxy-4-oxobutanoate has a molecular weight of 331.41 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-methylperoxy-4-oxobutanoate is sourced from PubChem (CID 22986343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).