2-(2,2,6,6-tetramethylpiperidin-4-yl)-1-[tris(2,2,6,6-tetramethylpiperidin-4-yl)methyl]propane-1,1,2,3-tetracarboxylic acid

C44H78N4O8 — CID 19020858

IUPAC2-(2,2,6,6-tetramethylpiperidin-4-yl)-1-[tris(2,2,6,6-tetramethylpiperidin-4-yl)methyl]propane-1,1,2,3-tetracarboxylic acid
SMILESCC1(C)CC(C(CC(=O)O)(C(=O)O)C(C(=O)O)(C(=O)O)C(C2CC(C)(C)NC(C)(C)C2)(C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C44H78N4O8/c1-34(2)17-26(18-35(3,4)45-34)42(31(51)52,25-30(49)50)44(32(53)54,33(55)56)43(27-19-36(5,6)46-37(7,8)20-27,28-21-38(9,10)47-39(11,12)22-28)29-23-40(13,14)48-41(15,16)24-29/h26-29,45-48H,17-25H2,1-16H3,(H,49,50)(H,51,52)(H,53,54)(H,55,56)
InChIKeyPWYZZXOJDOLBHY-UHFFFAOYSA-N
MW791.13 g/mol
LogP6.90
Rot. Bonds11

About 2-(2,2,6,6-tetramethylpiperidin-4-yl)-1-[tris(2,2,6,6-tetramethylpiperidin-4-yl)methyl]propane-1,1,2,3-tetracarboxylic acid

2-(2,2,6,6-tetramethylpiperidin-4-yl)-1-[tris(2,2,6,6-tetramethylpiperidin-4-yl)methyl]propane-1,1,2,3-tetracarboxylic acid (PubChem CID 19020858) has the molecular formula C44H78N4O8 and a molecular weight of 791.13 g/mol. Its IUPAC name is 2-(2,2,6,6-tetramethylpiperidin-4-yl)-1-[tris(2,2,6,6-tetramethylpiperidin-4-yl)methyl]propane-1,1,2,3-tetracarboxylic acid.

Molecular Properties

Compound Name2-(2,2,6,6-tetramethylpiperidin-4-yl)-1-[tris(2,2,6,6-tetramethylpiperidin-4-yl)methyl]propane-1,1,2,3-tetracarboxylic acid
PubChem CID19020858
Molecular FormulaC44H78N4O8
Molecular Weight791.13 g/mol
Exact Mass790.58
IUPAC Name2-(2,2,6,6-tetramethylpiperidin-4-yl)-1-[tris(2,2,6,6-tetramethylpiperidin-4-yl)methyl]propane-1,1,2,3-tetracarboxylic acid
SMILESCC1(C)CC(C(CC(=O)O)(C(=O)O)C(C(=O)O)(C(=O)O)C(C2CC(C)(C)NC(C)(C)C2)(C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C44H78N4O8/c1-34(2)17-26(18-35(3,4)45-34)42(31(51)52,25-30(49)50)44(32(53)54,33(55)56)43(27-19-36(5,6)46-37(7,8)20-27,28-21-38(9,10)47-39(11,12)22-28)29-23-40(13,14)48-41(15,16)24-29/h26-29,45-48H,17-25H2,1-16H3,(H,49,50)(H,51,52)(H,53,54)(H,55,56)
InChIKeyPWYZZXOJDOLBHY-UHFFFAOYSA-N
XLogP6.90
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 ≤ 56.90
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-(2,2,6,6-tetramethylpiperidin-4-yl)-1-[tris(2,2,6,6-tetramethylpiperidin-4-yl)methyl]propane-1,1,2,3-tetracarboxylic acid with MolForge

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Related Compounds

1,2,3-Tris(2,2,6,6-tetramethyl-4-piperidyl) 4-tridecyl butane-1,2,3,4-tetracarboxylate
CID 44147901
1-Hexadecyl 2,3,4-tris(2,2,6,6-tetramethyl-4-piperidyl) butane-1,2,3,4-tetracarboxylate
CID 44147701
1,2,3-Tris(2,2,6,6-tetramethylpiperidin-4-yl)heptadecane-1,2,3,4-tetracarboxylic acid
CID 3020054
1,1,2,3-Tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid
CID 11721931
1,2,3,4-Tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid
CID 14454720
1,1-Bis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid
CID 18358472
1,1,2-Tris(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid
CID 18358611
1,1-Bis(2,2,6,6-tetramethylpiperidin-4-yl)-2,3-di(tridecyl)butane-1,2,3,4-tetracarboxylic acid
CID 18931656
3-Methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)-3-tridecylhexadecane-1,1,1,2-tetracarboxylic acid
CID 19079965
2,3,4-Tris(2,2,6,6-tetramethylpiperidin-4-yl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylbutane-1,1,2-tricarboxylic acid
CID 19380013
1,1-Bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-2,3,4,4-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid
CID 19754028
1,1,2,3-Tetrakis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid
CID 20042841

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,6,6-tetramethylpiperidin-4-yl)-1-[tris(2,2,6,6-tetramethylpiperidin-4-yl)methyl]propane-1,1,2,3-tetracarboxylic acid?
The IUPAC name of 2-(2,2,6,6-tetramethylpiperidin-4-yl)-1-[tris(2,2,6,6-tetramethylpiperidin-4-yl)methyl]propane-1,1,2,3-tetracarboxylic acid (CID 19020858) is 2-(2,2,6,6-tetramethylpiperidin-4-yl)-1-[tris(2,2,6,6-tetramethylpiperidin-4-yl)methyl]propane-1,1,2,3-tetracarboxylic acid.
What is the SMILES notation for 2-(2,2,6,6-tetramethylpiperidin-4-yl)-1-[tris(2,2,6,6-tetramethylpiperidin-4-yl)methyl]propane-1,1,2,3-tetracarboxylic acid?
The canonical SMILES for 2-(2,2,6,6-tetramethylpiperidin-4-yl)-1-[tris(2,2,6,6-tetramethylpiperidin-4-yl)methyl]propane-1,1,2,3-tetracarboxylic acid is CC1(C)CC(C(CC(=O)O)(C(=O)O)C(C(=O)O)(C(=O)O)C(C2CC(C)(C)NC(C)(C)C2)(C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.
What is the InChIKey of 2-(2,2,6,6-tetramethylpiperidin-4-yl)-1-[tris(2,2,6,6-tetramethylpiperidin-4-yl)methyl]propane-1,1,2,3-tetracarboxylic acid?
The InChIKey is PWYZZXOJDOLBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H78N4O8/c1-34(2)17-26(18-35(3,4)45-34)42(31(51)52,25-30(49)50)44(32(53)54,33(55)56)43(27-19-36(5,6)46-37(7,8)20-27,28-21-38(9,10)47-39(11,12)22-28)29-23-40(13,14)48-41(15,16)24-29/h26-29,45-48H,17-25H2,1-16H3,(H,49,50)(H,51,52)(H,53,54)(H,55,56).
What are the key properties of 2-(2,2,6,6-tetramethylpiperidin-4-yl)-1-[tris(2,2,6,6-tetramethylpiperidin-4-yl)methyl]propane-1,1,2,3-tetracarboxylic acid?
2-(2,2,6,6-tetramethylpiperidin-4-yl)-1-[tris(2,2,6,6-tetramethylpiperidin-4-yl)methyl]propane-1,1,2,3-tetracarboxylic acid has a molecular weight of 791.13 g/mol, XLogP of 6.90, 11 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,6,6-tetramethylpiperidin-4-yl)-1-[tris(2,2,6,6-tetramethylpiperidin-4-yl)methyl]propane-1,1,2,3-tetracarboxylic acid is sourced from PubChem (CID 19020858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).