(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl) benzenecarboperoxoate

C16H23NO4 — CID 87999157

IUPAC(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl) benzenecarboperoxoate
SMILESCC1(C)CC(O)CC(C)(C)N1OOC(=O)c1ccccc1
InChIInChI=1S/C16H23NO4/c1-15(2)10-13(18)11-16(3,4)17(15)21-20-14(19)12-8-6-5-7-9-12/h5-9,13,18H,10-11H2,1-4H3
InChIKeyUODRNVXFBZPNOV-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.70
Rot. Bonds3

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

(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl) benzenecarboperoxoate (PubChem CID 87999157) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is (4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl) benzenecarboperoxoate.

Molecular Properties

Compound Name(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl) benzenecarboperoxoate
PubChem CID87999157
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl) benzenecarboperoxoate
SMILESCC1(C)CC(O)CC(C)(C)N1OOC(=O)c1ccccc1
InChIInChI=1S/C16H23NO4/c1-15(2)10-13(18)11-16(3,4)17(15)21-20-14(19)12-8-6-5-7-9-12/h5-9,13,18H,10-11H2,1-4H3
InChIKeyUODRNVXFBZPNOV-UHFFFAOYSA-N
XLogP2.70
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 (4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl) benzenecarboperoxoate?
The IUPAC name of (4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl) benzenecarboperoxoate (CID 87999157) is (4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl) benzenecarboperoxoate.
What is the SMILES notation for (4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl) benzenecarboperoxoate?
The canonical SMILES for (4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl) benzenecarboperoxoate is CC1(C)CC(O)CC(C)(C)N1OOC(=O)c1ccccc1.
What is the InChIKey of (4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl) benzenecarboperoxoate?
The InChIKey is UODRNVXFBZPNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-15(2)10-13(18)11-16(3,4)17(15)21-20-14(19)12-8-6-5-7-9-12/h5-9,13,18H,10-11H2,1-4H3.
What are the key properties of (4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl) benzenecarboperoxoate?
(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl) benzenecarboperoxoate has a molecular weight of 293.36 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl) benzenecarboperoxoate is sourced from PubChem (CID 87999157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).