bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]butanedioate

C43H74N2O5 — CID 176897785

IUPACbis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]butanedioate
SMILESCCCCC(CC(=O)OC1CC(C)(C)N(C)C(C)(C)C1)(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)OC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C43H74N2O5/c1-18-19-20-43(36(48)50-31-26-41(12,13)45(17)42(14,15)27-31,28-34(46)49-30-24-39(8,9)44(16)40(10,11)25-30)23-29-21-32(37(2,3)4)35(47)33(22-29)38(5,6)7/h21-22,30-31,47H,18-20,23-28H2,1-17H3
InChIKeyYOAYGNFRFANIFL-UHFFFAOYSA-N
MW699.07 g/mol
LogP9.49
Rot. Bonds10

About bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]butanedioate

bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]butanedioate (PubChem CID 176897785) has the molecular formula C43H74N2O5 and a molecular weight of 699.07 g/mol. Its IUPAC name is bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]butanedioate.

Molecular Properties

Compound Namebis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]butanedioate
PubChem CID176897785
Molecular FormulaC43H74N2O5
Molecular Weight699.07 g/mol
Exact Mass698.56
IUPAC Namebis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]butanedioate
SMILESCCCCC(CC(=O)OC1CC(C)(C)N(C)C(C)(C)C1)(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)OC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C43H74N2O5/c1-18-19-20-43(36(48)50-31-26-41(12,13)45(17)42(14,15)27-31,28-34(46)49-30-24-39(8,9)44(16)40(10,11)25-30)23-29-21-32(37(2,3)4)35(47)33(22-29)38(5,6)7/h21-22,30-31,47H,18-20,23-28H2,1-17H3
InChIKeyYOAYGNFRFANIFL-UHFFFAOYSA-N
XLogP9.49
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.07
LogP ≤ 59.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-cyclopropyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate
CID 91448406
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
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
(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-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
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate;bis(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate;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) decanedioate;1-O-methyl 10-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate;1-O-methyl 10-O-(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;molecular hydrogen;1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 10-O-(2,2,6,6-tetramethyl-1-octa-1,3,5,7-tetraynylpiperidin-4-yl) decanedioate
CID 157434071
3-[1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)pentan-2-yl]oxy-3-oxopropanoic acid
CID 155011051
(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
bis(1,2,2,4,6,6-hexamethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate;bis(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate;1-O-methyl 10-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate;molecular hydrogen;1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 10-O-[2,2,6,6-tetramethyl-1-(trioxidanylperoxyperoxycarbonyl)piperidin-4-yl] decanedioate
CID 159594542
bis[1-(diethylcarbamoyl)-2,2,6,6-tetramethylpiperidin-4-yl] 2,2-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate
CID 21324544
ethane;4-methoxy-1,2,2,6,6-pentamethylpiperidine;(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[(3,5-ditert-butylphenyl)methyl]-2-ethenylpent-4-enoate
CID 143317335

Frequently Asked Questions

What is the IUPAC name of bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]butanedioate?
The IUPAC name of bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]butanedioate (CID 176897785) is bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]butanedioate.
What is the SMILES notation for bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]butanedioate?
The canonical SMILES for bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]butanedioate is CCCCC(CC(=O)OC1CC(C)(C)N(C)C(C)(C)C1)(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)OC1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]butanedioate?
The InChIKey is YOAYGNFRFANIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H74N2O5/c1-18-19-20-43(36(48)50-31-26-41(12,13)45(17)42(14,15)27-31,28-34(46)49-30-24-39(8,9)44(16)40(10,11)25-30)23-29-21-32(37(2,3)4)35(47)33(22-29)38(5,6)7/h21-22,30-31,47H,18-20,23-28H2,1-17H3.
What are the key properties of bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]butanedioate?
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]butanedioate has a molecular weight of 699.07 g/mol, XLogP of 9.49, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]butanedioate is sourced from PubChem (CID 176897785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).