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

C32H51NO7 — CID 139991340

IUPAC4,4-bis(cyclohexylperoxy)-2,2,6,6-tetramethyl-1-[1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]piperidine
SMILESCC(ON1C(C)(C)CC(OOC2CCCCC2)(OOC2CCCCC2)CC1(C)C)c1ccc(OCC2CO2)cc1
InChIInChI=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
InChIKeyAQGSZZJZSOQKTR-UHFFFAOYSA-N
MW561.76 g/mol
LogP7.37
Rot. Bonds12

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 Name4,4-bis(cyclohexylperoxy)-2,2,6,6-tetramethyl-1-[1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]piperidine
PubChem CID139991340
Molecular FormulaC32H51NO7
Molecular Weight561.76 g/mol
Exact Mass561.37
IUPAC Name4,4-bis(cyclohexylperoxy)-2,2,6,6-tetramethyl-1-[1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]piperidine
SMILESCC(ON1C(C)(C)CC(OOC2CCCCC2)(OOC2CCCCC2)CC1(C)C)c1ccc(OCC2CO2)cc1
InChIInChI=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
InChIKeyAQGSZZJZSOQKTR-UHFFFAOYSA-N
XLogP7.37
TPSA71.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.76
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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'}

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Related Compounds

2',2',6',6'-tetramethyl-1'-[1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,4'-piperidine]
CID 58759296
54,54,56,56-tetramethyl-55-[1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-55-azaspiro[5.51]heptapentacontane-1,5-diol
CID 87886274
2,2,4,4,14,14,16,16-octamethyl-3,15-bis[1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-7,11,18,21-tetraoxa-3,15-diazatrispiro[5.2.2.512.29.26]henicosane
CID 58759284
2,2-diethyl-6,6-dimethyl-4,4-dioctoxy-1-[1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]piperidine
CID 23615011
[3,8,8,10,10-pentamethyl-9-[1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl]methyl acetate
CID 58759293
bis[[3,8,8,10,10-pentamethyl-9-[1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl]methyl] octanedioate
CID 58759297
[7,7,9,9-tetramethyl-8-[1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methyl benzoate
CID 58759256
7,7-diethyl-9,9-dimethyl-3-octyl-8-[1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,4-dioxa-8-azaspiro[4.5]decane
CID 23615053
2-[[4-(1-methoxyethyl)phenoxy]methyl]oxirane
CID 22359743
3-butyl-3,10,10-triethyl-8,8-dimethyl-9-[1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,5-dioxa-9-azaspiro[5.5]undecane
CID 23615035
3,3,8,8,10,10-hexamethyl-9-[1-[3-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,5-dioxa-9-azaspiro[5.5]undecane
CID 58891862
3,8,10-triethyl-3,8,10,11-tetramethyl-9-[1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,5-dioxa-9-azaspiro[5.5]undecane
CID 23615030

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).