tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2,4,5-tetracarboxylate

C46H74N4O8 — CID 22165741

IUPACtetrakis(2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2,4,5-tetracarboxylate
SMILESCC1(C)CC(OC(=O)c2cc(C(=O)OC3CC(C)(C)NC(C)(C)C3)c(C(=O)OC3CC(C)(C)NC(C)(C)C3)cc2C(=O)OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C46H74N4O8/c1-39(2)19-27(20-40(3,4)47-39)55-35(51)31-17-33(37(53)57-29-23-43(9,10)49-44(11,12)24-29)34(38(54)58-30-25-45(13,14)50-46(15,16)26-30)18-32(31)36(52)56-28-21-41(5,6)48-42(7,8)22-28/h17-18,27-30,47-50H,19-26H2,1-16H3
InChIKeyHBARMQDQLSBFAP-UHFFFAOYSA-N
MW811.12 g/mol
LogP7.55
Rot. Bonds8

About tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2,4,5-tetracarboxylate

tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2,4,5-tetracarboxylate (PubChem CID 22165741) has the molecular formula C46H74N4O8 and a molecular weight of 811.12 g/mol. Its IUPAC name is tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2,4,5-tetracarboxylate.

Molecular Properties

Compound Nametetrakis(2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2,4,5-tetracarboxylate
PubChem CID22165741
Molecular FormulaC46H74N4O8
Molecular Weight811.12 g/mol
Exact Mass810.55
IUPAC Nametetrakis(2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2,4,5-tetracarboxylate
SMILESCC1(C)CC(OC(=O)c2cc(C(=O)OC3CC(C)(C)NC(C)(C)C3)c(C(=O)OC3CC(C)(C)NC(C)(C)C3)cc2C(=O)OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C46H74N4O8/c1-39(2)19-27(20-40(3,4)47-39)55-35(51)31-17-33(37(53)57-29-23-43(9,10)49-44(11,12)24-29)34(38(54)58-30-25-45(13,14)50-46(15,16)26-30)18-32(31)36(52)56-28-21-41(5,6)48-42(7,8)22-28/h17-18,27-30,47-50H,19-26H2,1-16H3
InChIKeyHBARMQDQLSBFAP-UHFFFAOYSA-N
XLogP7.55
TPSA153.32 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500811.12
LogP ≤ 57.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2,4,5-tetracarboxylate?
The IUPAC name of tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2,4,5-tetracarboxylate (CID 22165741) is tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2,4,5-tetracarboxylate.
What is the SMILES notation for tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2,4,5-tetracarboxylate?
The canonical SMILES for tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2,4,5-tetracarboxylate is CC1(C)CC(OC(=O)c2cc(C(=O)OC3CC(C)(C)NC(C)(C)C3)c(C(=O)OC3CC(C)(C)NC(C)(C)C3)cc2C(=O)OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.
What is the InChIKey of tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2,4,5-tetracarboxylate?
The InChIKey is HBARMQDQLSBFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H74N4O8/c1-39(2)19-27(20-40(3,4)47-39)55-35(51)31-17-33(37(53)57-29-23-43(9,10)49-44(11,12)24-29)34(38(54)58-30-25-45(13,14)50-46(15,16)26-30)18-32(31)36(52)56-28-21-41(5,6)48-42(7,8)22-28/h17-18,27-30,47-50H,19-26H2,1-16H3.
What are the key properties of tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2,4,5-tetracarboxylate?
tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2,4,5-tetracarboxylate has a molecular weight of 811.12 g/mol, XLogP of 7.55, 8 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2,4,5-tetracarboxylate is sourced from PubChem (CID 22165741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).