(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-(3,5-ditert-butyl-4-hydroxyphenyl)-2,2,3-trimethylbutanoate

C31H53NO3 — CID 143162480

IUPAC(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-(3,5-ditert-butyl-4-hydroxyphenyl)-2,2,3-trimethylbutanoate
SMILESCC(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(C)(C)C(=O)OC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C31H53NO3/c1-20(15-21-16-23(27(2,3)4)25(33)24(17-21)28(5,6)7)31(12,13)26(34)35-22-18-29(8,9)32(14)30(10,11)19-22/h16-17,20,22,33H,15,18-19H2,1-14H3
InChIKeyYQSDUXBQYKSWDO-UHFFFAOYSA-N
MW487.77 g/mol
LogP7.39
Rot. Bonds5

About (1,2,2,6,6-pentamethylpiperidin-4-yl) 4-(3,5-ditert-butyl-4-hydroxyphenyl)-2,2,3-trimethylbutanoate

(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-(3,5-ditert-butyl-4-hydroxyphenyl)-2,2,3-trimethylbutanoate (PubChem CID 143162480) has the molecular formula C31H53NO3 and a molecular weight of 487.77 g/mol. Its IUPAC name is (1,2,2,6,6-pentamethylpiperidin-4-yl) 4-(3,5-ditert-butyl-4-hydroxyphenyl)-2,2,3-trimethylbutanoate.

Molecular Properties

Compound Name(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-(3,5-ditert-butyl-4-hydroxyphenyl)-2,2,3-trimethylbutanoate
PubChem CID143162480
Molecular FormulaC31H53NO3
Molecular Weight487.77 g/mol
Exact Mass487.40
IUPAC Name(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-(3,5-ditert-butyl-4-hydroxyphenyl)-2,2,3-trimethylbutanoate
SMILESCC(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(C)(C)C(=O)OC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C31H53NO3/c1-20(15-21-16-23(27(2,3)4)25(33)24(17-21)28(5,6)7)31(12,13)26(34)35-22-18-29(8,9)32(14)30(10,11)19-22/h16-17,20,22,33H,15,18-19H2,1-14H3
InChIKeyYQSDUXBQYKSWDO-UHFFFAOYSA-N
XLogP7.39
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.77
LogP ≤ 57.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]butanedioate
CID 176897785
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
(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-(diethylcarbamoyl)-2,2,6,6-tetramethylpiperidin-4-yl] 2,2-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate
CID 21324544
bis(2,2,6,6-tetramethyl-1-propylpiperidin-4-yl) 2-[1-(3,5-ditert-butyl-4-hydroxyphenyl)propyl]-2-ethylpropanedioate
CID 88768078
bis(1,2,2,6,6-pentamethylpiperidin-3-yl) 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate
CID 141077542
tris(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-(5-tert-butyl-4-hydroxy-2,3-dimethylphenyl)-3-cyanobutane-1,2,3-tricarboxylate
CID 23338194
2,6-ditert-butyl-4-[2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]propyl]phenol
CID 90741452
[1-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]-2,2,6,6-tetramethylpiperidin-4-yl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 19044858
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-[1-[2-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]ethyl]-2,2,6,6-tetramethylpiperidin-4-yl] 2-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 139795417

Frequently Asked Questions

What is the IUPAC name of (1,2,2,6,6-pentamethylpiperidin-4-yl) 4-(3,5-ditert-butyl-4-hydroxyphenyl)-2,2,3-trimethylbutanoate?
The IUPAC name of (1,2,2,6,6-pentamethylpiperidin-4-yl) 4-(3,5-ditert-butyl-4-hydroxyphenyl)-2,2,3-trimethylbutanoate (CID 143162480) is (1,2,2,6,6-pentamethylpiperidin-4-yl) 4-(3,5-ditert-butyl-4-hydroxyphenyl)-2,2,3-trimethylbutanoate.
What is the SMILES notation for (1,2,2,6,6-pentamethylpiperidin-4-yl) 4-(3,5-ditert-butyl-4-hydroxyphenyl)-2,2,3-trimethylbutanoate?
The canonical SMILES for (1,2,2,6,6-pentamethylpiperidin-4-yl) 4-(3,5-ditert-butyl-4-hydroxyphenyl)-2,2,3-trimethylbutanoate is CC(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(C)(C)C(=O)OC1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of (1,2,2,6,6-pentamethylpiperidin-4-yl) 4-(3,5-ditert-butyl-4-hydroxyphenyl)-2,2,3-trimethylbutanoate?
The InChIKey is YQSDUXBQYKSWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H53NO3/c1-20(15-21-16-23(27(2,3)4)25(33)24(17-21)28(5,6)7)31(12,13)26(34)35-22-18-29(8,9)32(14)30(10,11)19-22/h16-17,20,22,33H,15,18-19H2,1-14H3.
What are the key properties of (1,2,2,6,6-pentamethylpiperidin-4-yl) 4-(3,5-ditert-butyl-4-hydroxyphenyl)-2,2,3-trimethylbutanoate?
(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-(3,5-ditert-butyl-4-hydroxyphenyl)-2,2,3-trimethylbutanoate has a molecular weight of 487.77 g/mol, XLogP of 7.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,2,6,6-pentamethylpiperidin-4-yl) 4-(3,5-ditert-butyl-4-hydroxyphenyl)-2,2,3-trimethylbutanoate is sourced from PubChem (CID 143162480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).