tris(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,1,3-tricarboxylate

C34H61N3O6 — CID 19762208

IUPACtris(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,1,3-tricarboxylate
SMILESCC(CC(C(=O)OC1CC(C)(C)NC(C)(C)C1)C(=O)OC1CC(C)(C)NC(C)(C)C1)C(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C34H61N3O6/c1-21(26(38)41-22-15-29(2,3)35-30(4,5)16-22)14-25(27(39)42-23-17-31(6,7)36-32(8,9)18-23)28(40)43-24-19-33(10,11)37-34(12,13)20-24/h21-25,35-37H,14-20H2,1-13H3
InChIKeyYIUKELPIVWJPMZ-UHFFFAOYSA-N
MW607.88 g/mol
LogP5.19
Rot. Bonds8

About tris(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,1,3-tricarboxylate

tris(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,1,3-tricarboxylate (PubChem CID 19762208) has the molecular formula C34H61N3O6 and a molecular weight of 607.88 g/mol. Its IUPAC name is tris(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,1,3-tricarboxylate.

Molecular Properties

Compound Nametris(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,1,3-tricarboxylate
PubChem CID19762208
Molecular FormulaC34H61N3O6
Molecular Weight607.88 g/mol
Exact Mass607.46
IUPAC Nametris(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,1,3-tricarboxylate
SMILESCC(CC(C(=O)OC1CC(C)(C)NC(C)(C)C1)C(=O)OC1CC(C)(C)NC(C)(C)C1)C(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C34H61N3O6/c1-21(26(38)41-22-15-29(2,3)35-30(4,5)16-22)14-25(27(39)42-23-17-31(6,7)36-32(8,9)18-23)28(40)43-24-19-33(10,11)37-34(12,13)20-24/h21-25,35-37H,14-20H2,1-13H3
InChIKeyYIUKELPIVWJPMZ-UHFFFAOYSA-N
XLogP5.19
TPSA114.99 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.88
LogP ≤ 55.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tris(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,1,3-tricarboxylate?
The IUPAC name of tris(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,1,3-tricarboxylate (CID 19762208) is tris(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,1,3-tricarboxylate.
What is the SMILES notation for tris(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,1,3-tricarboxylate?
The canonical SMILES for tris(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,1,3-tricarboxylate is CC(CC(C(=O)OC1CC(C)(C)NC(C)(C)C1)C(=O)OC1CC(C)(C)NC(C)(C)C1)C(=O)OC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of tris(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,1,3-tricarboxylate?
The InChIKey is YIUKELPIVWJPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H61N3O6/c1-21(26(38)41-22-15-29(2,3)35-30(4,5)16-22)14-25(27(39)42-23-17-31(6,7)36-32(8,9)18-23)28(40)43-24-19-33(10,11)37-34(12,13)20-24/h21-25,35-37H,14-20H2,1-13H3.
What are the key properties of tris(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,1,3-tricarboxylate?
tris(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,1,3-tricarboxylate has a molecular weight of 607.88 g/mol, XLogP of 5.19, 8 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) butane-1,1,3-tricarboxylate is sourced from PubChem (CID 19762208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).