(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxy 2,2,6,6-tetramethylpiperidine-4-carboperoxoate

C20H36N2O5 — CID 172808685

IUPAC(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxy 2,2,6,6-tetramethylpiperidine-4-carboperoxoate
SMILESCC1(C)CC(C(=O)OOOC(=O)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C20H36N2O5/c1-17(2)9-13(10-18(3,4)21-17)15(23)25-27-26-16(24)14-11-19(5,6)22-20(7,8)12-14/h13-14,21-22H,9-12H2,1-8H3
InChIKeyRWDZGFSHHDIZSI-UHFFFAOYSA-N
MW384.52 g/mol
LogP3.03
Rot. Bonds4

About (2,2,6,6-tetramethylpiperidine-4-carbonyl)oxy 2,2,6,6-tetramethylpiperidine-4-carboperoxoate

(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxy 2,2,6,6-tetramethylpiperidine-4-carboperoxoate (PubChem CID 172808685) has the molecular formula C20H36N2O5 and a molecular weight of 384.52 g/mol. Its IUPAC name is (2,2,6,6-tetramethylpiperidine-4-carbonyl)oxy 2,2,6,6-tetramethylpiperidine-4-carboperoxoate.

Molecular Properties

Compound Name(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxy 2,2,6,6-tetramethylpiperidine-4-carboperoxoate
PubChem CID172808685
Molecular FormulaC20H36N2O5
Molecular Weight384.52 g/mol
Exact Mass384.26
IUPAC Name(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxy 2,2,6,6-tetramethylpiperidine-4-carboperoxoate
SMILESCC1(C)CC(C(=O)OOOC(=O)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C20H36N2O5/c1-17(2)9-13(10-18(3,4)21-17)15(23)25-27-26-16(24)14-11-19(5,6)22-20(7,8)12-14/h13-14,21-22H,9-12H2,1-8H3
InChIKeyRWDZGFSHHDIZSI-UHFFFAOYSA-N
XLogP3.03
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.03
H-Bond Donors ≤ 52
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 (2,2,6,6-tetramethylpiperidine-4-carbonyl)oxy 2,2,6,6-tetramethylpiperidine-4-carboperoxoate?
The IUPAC name of (2,2,6,6-tetramethylpiperidine-4-carbonyl)oxy 2,2,6,6-tetramethylpiperidine-4-carboperoxoate (CID 172808685) is (2,2,6,6-tetramethylpiperidine-4-carbonyl)oxy 2,2,6,6-tetramethylpiperidine-4-carboperoxoate.
What is the SMILES notation for (2,2,6,6-tetramethylpiperidine-4-carbonyl)oxy 2,2,6,6-tetramethylpiperidine-4-carboperoxoate?
The canonical SMILES for (2,2,6,6-tetramethylpiperidine-4-carbonyl)oxy 2,2,6,6-tetramethylpiperidine-4-carboperoxoate is CC1(C)CC(C(=O)OOOC(=O)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.
What is the InChIKey of (2,2,6,6-tetramethylpiperidine-4-carbonyl)oxy 2,2,6,6-tetramethylpiperidine-4-carboperoxoate?
The InChIKey is RWDZGFSHHDIZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O5/c1-17(2)9-13(10-18(3,4)21-17)15(23)25-27-26-16(24)14-11-19(5,6)22-20(7,8)12-14/h13-14,21-22H,9-12H2,1-8H3.
What are the key properties of (2,2,6,6-tetramethylpiperidine-4-carbonyl)oxy 2,2,6,6-tetramethylpiperidine-4-carboperoxoate?
(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxy 2,2,6,6-tetramethylpiperidine-4-carboperoxoate has a molecular weight of 384.52 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,6,6-tetramethylpiperidine-4-carbonyl)oxy 2,2,6,6-tetramethylpiperidine-4-carboperoxoate is sourced from PubChem (CID 172808685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).