4,4-bis(cyclohexylperoxy)-2,2,6,6-tetramethyl-1-[1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]piperidine

C₃₂H₅₁NO₇ — CID 139991340

About 4,4-bis(cyclohexylperoxy)-2,2,6,6-tetramethyl-1-[1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]piperidine

4,4-bis(cyclohexylperoxy)-2,2,6,6-tetramethyl-1-[1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]piperidine (PubChem CID 139991340) has the molecular formula C₃₂H₅₁NO₇ and a molecular weight of 561.76 g/mol. Its IUPAC name is 4,4-bis(cyclohexylperoxy)-2,2,6,6-tetramethyl-1-[1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]piperidine.

Molecular Properties

• Compound Name: 4,4-bis(cyclohexylperoxy)-2,2,6,6-tetramethyl-1-[1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]piperidine
• PubChem CID: 139991340
• Molecular Formula: C₃₂H₅₁NO₇
• Molecular Weight: 561.76 g/mol
• Exact Mass: 561.37
• IUPAC Name: 4,4-bis(cyclohexylperoxy)-2,2,6,6-tetramethyl-1-[1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]piperidine
• SMILES: CC(ON1C(C)(C)CC(OOC2CCCCC2)(OOC2CCCCC2)CC1(C)C)c1ccc(OCC2CO2)cc1
• InChI: InChI=1S/C32H51NO7/c1-24(25-16-18-26(19-17-25)34-20-29-21-35-29)36-33-30(2,3)22-32(23-31(33,4)5,39-37-27-12-8-6-9-13-27)40-38-28-14-10-7-11-15-28/h16-19,24,27-29H,6-15,20-23H2,1-5H3
• InChIKey: AQGSZZJZSOQKTR-UHFFFAOYSA-N
• XLogP: 7.37
• TPSA: 71.15 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	561.76
LogP ≤ 5	7.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4,4-bis(cyclohexylperoxy)-2,2,6,6-tetramethyl-1-[1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]piperidine?

The IUPAC name of 4,4-bis(cyclohexylperoxy)-2,2,6,6-tetramethyl-1-[1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]piperidine (CID 139991340) is 4,4-bis(cyclohexylperoxy)-2,2,6,6-tetramethyl-1-[1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]piperidine.

What is the SMILES notation for 4,4-bis(cyclohexylperoxy)-2,2,6,6-tetramethyl-1-[1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]piperidine?

The canonical SMILES for 4,4-bis(cyclohexylperoxy)-2,2,6,6-tetramethyl-1-[1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]piperidine is CC(ON1C(C)(C)CC(OOC2CCCCC2)(OOC2CCCCC2)CC1(C)C)c1ccc(OCC2CO2)cc1.

What is the InChIKey of 4,4-bis(cyclohexylperoxy)-2,2,6,6-tetramethyl-1-[1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]piperidine?

The InChIKey is AQGSZZJZSOQKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H51NO7/c1-24(25-16-18-26(19-17-25)34-20-29-21-35-29)36-33-30(2,3)22-32(23-31(33,4)5,39-37-27-12-8-6-9-13-27)40-38-28-14-10-7-11-15-28/h16-19,24,27-29H,6-15,20-23H2,1-5H3.

What are the key properties of 4,4-bis(cyclohexylperoxy)-2,2,6,6-tetramethyl-1-[1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]piperidine?

4,4-bis(cyclohexylperoxy)-2,2,6,6-tetramethyl-1-[1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]piperidine has a molecular weight of 561.76 g/mol, XLogP of 7.37, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4,4-bis(cyclohexylperoxy)-2,2,6,6-tetramethyl-1-[1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]piperidine is sourced from PubChem (CID 139991340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139991340 — identifiers, structure, computed properties (public domain)

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