bis(1-acetyl-2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate;bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate;(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]hexanoate

C134H225N7O18 — CID 160844619

IUPACbis(1-acetyl-2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate;bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate;(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]hexanoate
SMILESCCCCC(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(C(=O)NC1CC(C)(C)NC(C)(C)C1)C(=O)OC1CC(C)(C)NC(C)(C)C1.CCCCC(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(C(=O)OC1CC(C)(C)N(C(C)=O)C(C)(C)C1)C(=O)OC1CC(C)(C)N(C(C)=O)C(C)(C)C1.CCCCC(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(C(=O)OC1CC(C)(CC)N(C(C)=O)C(C)(CC)C1C)C(=O)OC1CC(C)(CC)N(C(C)=O)C(C)(CC)C1C
InChIInChI=1S/C50H84N2O7.C44H72N2O7.C40H69N3O4/c1-20-25-26-50(29-36-27-37(44(10,11)12)41(55)38(28-36)45(13,14)15,42(56)58-39-30-46(16,21-2)51(34(8)53)48(18,23-4)32(39)6)43(57)59-40-31-47(17,22-3)52(35(9)54)49(19,24-5)33(40)7;1-18-19-20-44(23-30-21-33(38(4,5)6)35(49)34(22-30)39(7,8)9,36(50)52-31-24-40(10,11)45(28(2)47)41(12,13)25-31)37(51)53-32-26-42(14,15)46(29(3)48)43(16,17)27-32;1-16-17-18-40(32(45)41-27-22-36(8,9)42-37(10,11)23-27,33(46)47-28-24-38(12,13)43-39(14,15)25-28)21-26-19-29(34(2,3)4)31(44)30(20-26)35(5,6)7/h27-28,32-33,39-40,55H,20-26,29-31H2,1-19H3;21-22,31-32,49H,18-20,23-27H2,1-17H3;19-20,27-28,42-44H,16-18,21-25H2,1-15H3,(H,41,45)
InChIKeySIMCRAMHJHEYFQ-UHFFFAOYSA-N
MW2222.30 g/mol
LogP27.89
Rot. Bonds31

About bis(1-acetyl-2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate;bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate;(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]hexanoate

bis(1-acetyl-2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate;bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate;(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]hexanoate (PubChem CID 160844619) has the molecular formula C134H225N7O18 and a molecular weight of 2222.30 g/mol. Its IUPAC name is bis(1-acetyl-2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate;bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate;(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]hexanoate.

Molecular Properties

Compound Namebis(1-acetyl-2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate;bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate;(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]hexanoate
PubChem CID160844619
Molecular FormulaC134H225N7O18
Molecular Weight2222.30 g/mol
Exact Mass2220.69
IUPAC Namebis(1-acetyl-2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate;bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate;(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]hexanoate
SMILESCCCCC(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(C(=O)NC1CC(C)(C)NC(C)(C)C1)C(=O)OC1CC(C)(C)NC(C)(C)C1.CCCCC(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(C(=O)OC1CC(C)(C)N(C(C)=O)C(C)(C)C1)C(=O)OC1CC(C)(C)N(C(C)=O)C(C)(C)C1.CCCCC(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(C(=O)OC1CC(C)(CC)N(C(C)=O)C(C)(CC)C1C)C(=O)OC1CC(C)(CC)N(C(C)=O)C(C)(CC)C1C
InChIInChI=1S/C50H84N2O7.C44H72N2O7.C40H69N3O4/c1-20-25-26-50(29-36-27-37(44(10,11)12)41(55)38(28-36)45(13,14)15,42(56)58-39-30-46(16,21-2)51(34(8)53)48(18,23-4)32(39)6)43(57)59-40-31-47(17,22-3)52(35(9)54)49(19,24-5)33(40)7;1-18-19-20-44(23-30-21-33(38(4,5)6)35(49)34(22-30)39(7,8)9,36(50)52-31-24-40(10,11)45(28(2)47)41(12,13)25-31)37(51)53-32-26-42(14,15)46(29(3)48)43(16,17)27-32;1-16-17-18-40(32(45)41-27-22-36(8,9)42-37(10,11)23-27,33(46)47-28-24-38(12,13)43-39(14,15)25-28)21-26-19-29(34(2,3)4)31(44)30(20-26)35(5,6)7/h27-28,32-33,39-40,55H,20-26,29-31H2,1-19H3;21-22,31-32,49H,18-20,23-27H2,1-17H3;19-20,27-28,42-44H,16-18,21-25H2,1-15H3,(H,41,45)
InChIKeySIMCRAMHJHEYFQ-UHFFFAOYSA-N
XLogP27.89
TPSA326.59 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds31
Heavy Atoms159
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002222.30
LogP ≤ 527.89
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze bis(1-acetyl-2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate;bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate;(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]hexanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(1-acetyl-2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate;bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate;(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]hexanoate?
The IUPAC name of bis(1-acetyl-2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate;bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate;(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]hexanoate (CID 160844619) is bis(1-acetyl-2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate;bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate;(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]hexanoate.
What is the SMILES notation for bis(1-acetyl-2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate;bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate;(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]hexanoate?
The canonical SMILES for bis(1-acetyl-2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate;bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate;(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]hexanoate is CCCCC(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(C(=O)NC1CC(C)(C)NC(C)(C)C1)C(=O)OC1CC(C)(C)NC(C)(C)C1.CCCCC(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(C(=O)OC1CC(C)(C)N(C(C)=O)C(C)(C)C1)C(=O)OC1CC(C)(C)N(C(C)=O)C(C)(C)C1.CCCCC(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(C(=O)OC1CC(C)(CC)N(C(C)=O)C(C)(CC)C1C)C(=O)OC1CC(C)(CC)N(C(C)=O)C(C)(CC)C1C.
What is the InChIKey of bis(1-acetyl-2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate;bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate;(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]hexanoate?
The InChIKey is SIMCRAMHJHEYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H84N2O7.C44H72N2O7.C40H69N3O4/c1-20-25-26-50(29-36-27-37(44(10,11)12)41(55)38(28-36)45(13,14)15,42(56)58-39-30-46(16,21-2)51(34(8)53)48(18,23-4)32(39)6)43(57)59-40-31-47(17,22-3)52(35(9)54)49(19,24-5)33(40)7;1-18-19-20-44(23-30-21-33(38(4,5)6)35(49)34(22-30)39(7,8)9,36(50)52-31-24-40(10,11)45(28(2)47)41(12,13)25-31)37(51)53-32-26-42(14,15)46(29(3)48)43(16,17)27-32;1-16-17-18-40(32(45)41-27-22-36(8,9)42-37(10,11)23-27,33(46)47-28-24-38(12,13)43-39(14,15)25-28)21-26-19-29(34(2,3)4)31(44)30(20-26)35(5,6)7/h27-28,32-33,39-40,55H,20-26,29-31H2,1-19H3;21-22,31-32,49H,18-20,23-27H2,1-17H3;19-20,27-28,42-44H,16-18,21-25H2,1-15H3,(H,41,45).
What are the key properties of bis(1-acetyl-2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate;bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate;(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]hexanoate?
bis(1-acetyl-2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate;bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate;(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]hexanoate has a molecular weight of 2222.30 g/mol, XLogP of 27.89, 31 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-acetyl-2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate;bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate;(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]hexanoate is sourced from PubChem (CID 160844619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).