tris(2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2,4-tricarboxylate

C36H57N3O6 — CID 22016016

IUPACtris(2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2,4-tricarboxylate
SMILESCC1(C)CC(OC(=O)c2ccc(C(=O)OC3CC(C)(C)NC(C)(C)C3)c(C(=O)OC3CC(C)(C)NC(C)(C)C3)c2)CC(C)(C)N1
InChIInChI=1S/C36H57N3O6/c1-31(2)16-23(17-32(3,4)37-31)43-28(40)22-13-14-26(29(41)44-24-18-33(5,6)38-34(7,8)19-24)27(15-22)30(42)45-25-20-35(9,10)39-36(11,12)21-25/h13-15,23-25,37-39H,16-21H2,1-12H3
InChIKeyFLYSTDOBXVEEHL-UHFFFAOYSA-N
MW627.87 g/mol
LogP6.08
Rot. Bonds6

About tris(2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2,4-tricarboxylate

tris(2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2,4-tricarboxylate (PubChem CID 22016016) has the molecular formula C36H57N3O6 and a molecular weight of 627.87 g/mol. Its IUPAC name is tris(2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2,4-tricarboxylate.

Molecular Properties

Compound Nametris(2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2,4-tricarboxylate
PubChem CID22016016
Molecular FormulaC36H57N3O6
Molecular Weight627.87 g/mol
Exact Mass627.42
IUPAC Nametris(2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2,4-tricarboxylate
SMILESCC1(C)CC(OC(=O)c2ccc(C(=O)OC3CC(C)(C)NC(C)(C)C3)c(C(=O)OC3CC(C)(C)NC(C)(C)C3)c2)CC(C)(C)N1
InChIInChI=1S/C36H57N3O6/c1-31(2)16-23(17-32(3,4)37-31)43-28(40)22-13-14-26(29(41)44-24-18-33(5,6)38-34(7,8)19-24)27(15-22)30(42)45-25-20-35(9,10)39-36(11,12)21-25/h13-15,23-25,37-39H,16-21H2,1-12H3
InChIKeyFLYSTDOBXVEEHL-UHFFFAOYSA-N
XLogP6.08
TPSA114.99 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.87
LogP ≤ 56.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

Bis(2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2-dicarboxylate
CID 1513129
Di(2,2,6,6-tetramethyl-1-oxyl-4-piperidyl) phthalate
CID 1222549
Tris(2,2,6,6-tetramethyl-1-oxyl-4-piperidyl) trimesate
CID 122536242
CID 140598426
CID 140598426
1,3-Bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2,4-ditridecyl benzene-1,2,3,4-tetracarboxylate
CID 113596
1,3-Bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,4-ditridecyl benzene-1,2,3,4-tetracarboxylate
CID 113597
(2,2,6,6-Tetramethylpiperidin-4-yl) 2-fluoro-4-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphenyl]benzoate
CID 118874281
(2,2,6,6-Tetramethylpiperidin-4-yl) 3-(difluoromethyl)-4-[2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphenyl]ethyl]benzoate
CID 118874361
(2,2,6,6-tetramethylpiperidin-4-yl) 4-[3-(fluoromethyl)-4-[(E)-5-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypent-3-enyl]phenyl]benzoate
CID 118874366
(2,2,6,6-Tetramethylpiperidin-4-yl) 3-fluoro-4-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphenyl]-2-(trifluoromethyl)benzoate
CID 118874374
(2,2,6,6-Tetramethylpiperidin-4-yl) 4-[2-fluoro-4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylcyclohexen-1-yl]benzoate
CID 118874381
(2,2,6,6-Tetramethylpiperidin-4-yl) 2-fluoro-4-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylcyclohexyl]benzoate
CID 118874386

Frequently Asked Questions

What is the IUPAC name of tris(2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2,4-tricarboxylate?
The IUPAC name of tris(2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2,4-tricarboxylate (CID 22016016) is tris(2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2,4-tricarboxylate.
What is the SMILES notation for tris(2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2,4-tricarboxylate?
The canonical SMILES for tris(2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2,4-tricarboxylate is CC1(C)CC(OC(=O)c2ccc(C(=O)OC3CC(C)(C)NC(C)(C)C3)c(C(=O)OC3CC(C)(C)NC(C)(C)C3)c2)CC(C)(C)N1.
What is the InChIKey of tris(2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2,4-tricarboxylate?
The InChIKey is FLYSTDOBXVEEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H57N3O6/c1-31(2)16-23(17-32(3,4)37-31)43-28(40)22-13-14-26(29(41)44-24-18-33(5,6)38-34(7,8)19-24)27(15-22)30(42)45-25-20-35(9,10)39-36(11,12)21-25/h13-15,23-25,37-39H,16-21H2,1-12H3.
What are the key properties of tris(2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2,4-tricarboxylate?
tris(2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2,4-tricarboxylate has a molecular weight of 627.87 g/mol, XLogP of 6.08, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2,4-tricarboxylate is sourced from PubChem (CID 22016016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).