(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[hydroperoxy-(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]-2-[(4-hydroxy-3,5-dimethylphenyl)methyl]hexanoate

C36H62N2O5 — CID 59882771

IUPAC(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[hydroperoxy-(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]-2-[(4-hydroxy-3,5-dimethylphenyl)methyl]hexanoate
SMILESCCCCC(Cc1cc(C)c(O)c(C)c1)(C(=O)OC1CC(C)(C)N(C)C(C)(C)C1)C(OO)C1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C36H62N2O5/c1-14-15-16-36(19-26-17-24(2)29(39)25(3)18-26,30(43-41)27-20-32(4,5)37(12)33(6,7)21-27)31(40)42-28-22-34(8,9)38(13)35(10,11)23-28/h17-18,27-28,30,39,41H,14-16,19-23H2,1-13H3
InChIKeyIOWALLIXDDNBQJ-UHFFFAOYSA-N
MW602.90 g/mol
LogP7.68
Rot. Bonds10

About (1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[hydroperoxy-(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]-2-[(4-hydroxy-3,5-dimethylphenyl)methyl]hexanoate

(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[hydroperoxy-(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]-2-[(4-hydroxy-3,5-dimethylphenyl)methyl]hexanoate (PubChem CID 59882771) has the molecular formula C36H62N2O5 and a molecular weight of 602.90 g/mol. Its IUPAC name is (1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[hydroperoxy-(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]-2-[(4-hydroxy-3,5-dimethylphenyl)methyl]hexanoate.

Molecular Properties

Compound Name(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[hydroperoxy-(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]-2-[(4-hydroxy-3,5-dimethylphenyl)methyl]hexanoate
PubChem CID59882771
Molecular FormulaC36H62N2O5
Molecular Weight602.90 g/mol
Exact Mass602.47
IUPAC Name(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[hydroperoxy-(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]-2-[(4-hydroxy-3,5-dimethylphenyl)methyl]hexanoate
SMILESCCCCC(Cc1cc(C)c(O)c(C)c1)(C(=O)OC1CC(C)(C)N(C)C(C)(C)C1)C(OO)C1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C36H62N2O5/c1-14-15-16-36(19-26-17-24(2)29(39)25(3)18-26,30(43-41)27-20-32(4,5)37(12)33(6,7)21-27)31(40)42-28-22-34(8,9)38(13)35(10,11)23-28/h17-18,27-28,30,39,41H,14-16,19-23H2,1-13H3
InChIKeyIOWALLIXDDNBQJ-UHFFFAOYSA-N
XLogP7.68
TPSA82.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.90
LogP ≤ 57.68
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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Related Compounds

bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]butanedioate
CID 176897785
bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate;bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-butyl-2-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methyl]propanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2-octylpropanedioate;tris(1,2,2,6,6-pentamethylpiperidin-4-yl) 1-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methyl]ethane-1,1,2-tricarboxylate
CID 158624098
bis(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2-dodecylpropanedioate;bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2-ethylpropanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methyl]-2-ethylpropanedioate
CID 159207220
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-[3-[4-[4,4-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]octyl]-3-[4-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxycarbonyloctyl]phenyl]propyl]-2-butylpropanedioate
CID 135275067
(1,2,2,6,6-pentamethylpiperidin-4-yl) 3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-formyl-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxymethyl]heptanoate
CID 146322192
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-cyclopropyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate
CID 91448406
3-butoxy-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-3-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)propanoic acid
CID 175327402
(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-(3,5-ditert-butyl-4-hydroxyphenyl)-2,2,3-trimethylbutanoate
CID 143162480
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-acetamido-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate;bis(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate;bis(2,2,6,6-tetramethyl-1-propylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate
CID 157214580
(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-oxononanoate
CID 122576180
1-O-[5-(3,5-ditert-butyl-4-hydroxyphenyl)pentyl] 3-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-(1,2,2,6,6-pentamethylpiperidin-4-yl)propanedioate
CID 87403894
bis(2,2,6,6-tetramethyl-1-octylpiperidin-4-yl) 2,2-diethylpropanedioate
CID 20512159

Frequently Asked Questions

What is the IUPAC name of (1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[hydroperoxy-(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]-2-[(4-hydroxy-3,5-dimethylphenyl)methyl]hexanoate?
The IUPAC name of (1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[hydroperoxy-(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]-2-[(4-hydroxy-3,5-dimethylphenyl)methyl]hexanoate (CID 59882771) is (1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[hydroperoxy-(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]-2-[(4-hydroxy-3,5-dimethylphenyl)methyl]hexanoate.
What is the SMILES notation for (1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[hydroperoxy-(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]-2-[(4-hydroxy-3,5-dimethylphenyl)methyl]hexanoate?
The canonical SMILES for (1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[hydroperoxy-(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]-2-[(4-hydroxy-3,5-dimethylphenyl)methyl]hexanoate is CCCCC(Cc1cc(C)c(O)c(C)c1)(C(=O)OC1CC(C)(C)N(C)C(C)(C)C1)C(OO)C1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of (1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[hydroperoxy-(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]-2-[(4-hydroxy-3,5-dimethylphenyl)methyl]hexanoate?
The InChIKey is IOWALLIXDDNBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H62N2O5/c1-14-15-16-36(19-26-17-24(2)29(39)25(3)18-26,30(43-41)27-20-32(4,5)37(12)33(6,7)21-27)31(40)42-28-22-34(8,9)38(13)35(10,11)23-28/h17-18,27-28,30,39,41H,14-16,19-23H2,1-13H3.
What are the key properties of (1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[hydroperoxy-(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]-2-[(4-hydroxy-3,5-dimethylphenyl)methyl]hexanoate?
(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[hydroperoxy-(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]-2-[(4-hydroxy-3,5-dimethylphenyl)methyl]hexanoate has a molecular weight of 602.90 g/mol, XLogP of 7.68, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[hydroperoxy-(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]-2-[(4-hydroxy-3,5-dimethylphenyl)methyl]hexanoate is sourced from PubChem (CID 59882771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).