1,2,3,4-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid

C44H78N4O8 — CID 14454720

IUPAC1,2,3,4-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid
SMILESCC1(C)CC(C(C(=O)O)C(C(=O)O)(C2CC(C)(C)NC(C)(C)C2)C(C(=O)O)(C2CC(C)(C)NC(C)(C)C2)C(C(=O)O)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C44H78N4O8/c1-35(2)17-25(18-36(3,4)45-35)29(31(49)50)43(33(53)54,27-21-39(9,10)47-40(11,12)22-27)44(34(55)56,28-23-41(13,14)48-42(15,16)24-28)30(32(51)52)26-19-37(5,6)46-38(7,8)20-26/h25-30,45-48H,17-24H2,1-16H3,(H,49,50)(H,51,52)(H,53,54)(H,55,56)
InChIKeyYYXUWQNTQHTIOV-UHFFFAOYSA-N
MW791.13 g/mol
LogP6.76
Rot. Bonds11

About 1,2,3,4-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid

1,2,3,4-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid (PubChem CID 14454720) has the molecular formula C44H78N4O8 and a molecular weight of 791.13 g/mol. Its IUPAC name is 1,2,3,4-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid.

Molecular Properties

Compound Name1,2,3,4-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid
PubChem CID14454720
Molecular FormulaC44H78N4O8
Molecular Weight791.13 g/mol
Exact Mass790.58
IUPAC Name1,2,3,4-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid
SMILESCC1(C)CC(C(C(=O)O)C(C(=O)O)(C2CC(C)(C)NC(C)(C)C2)C(C(=O)O)(C2CC(C)(C)NC(C)(C)C2)C(C(=O)O)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C44H78N4O8/c1-35(2)17-25(18-36(3,4)45-35)29(31(49)50)43(33(53)54,27-21-39(9,10)47-40(11,12)22-27)44(34(55)56,28-23-41(13,14)48-42(15,16)24-28)30(32(51)52)26-19-37(5,6)46-38(7,8)20-26/h25-30,45-48H,17-24H2,1-16H3,(H,49,50)(H,51,52)(H,53,54)(H,55,56)
InChIKeyYYXUWQNTQHTIOV-UHFFFAOYSA-N
XLogP6.76
TPSA197.32 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500791.13
LogP ≤ 56.76
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid?
The IUPAC name of 1,2,3,4-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid (CID 14454720) is 1,2,3,4-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid.
What is the SMILES notation for 1,2,3,4-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid?
The canonical SMILES for 1,2,3,4-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid is CC1(C)CC(C(C(=O)O)C(C(=O)O)(C2CC(C)(C)NC(C)(C)C2)C(C(=O)O)(C2CC(C)(C)NC(C)(C)C2)C(C(=O)O)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.
What is the InChIKey of 1,2,3,4-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid?
The InChIKey is YYXUWQNTQHTIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H78N4O8/c1-35(2)17-25(18-36(3,4)45-35)29(31(49)50)43(33(53)54,27-21-39(9,10)47-40(11,12)22-27)44(34(55)56,28-23-41(13,14)48-42(15,16)24-28)30(32(51)52)26-19-37(5,6)46-38(7,8)20-26/h25-30,45-48H,17-24H2,1-16H3,(H,49,50)(H,51,52)(H,53,54)(H,55,56).
What are the key properties of 1,2,3,4-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid?
1,2,3,4-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid has a molecular weight of 791.13 g/mol, XLogP of 6.76, 11 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid is sourced from PubChem (CID 14454720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).