tetrakis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate

C44H78N4O12 — CID 14512552

IUPACtetrakis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate
SMILESCC1(C)CC(OC(=O)CC(C(=O)OC2CC(C)(C)N(O)C(C)(C)C2)C(CC(=O)OC2CC(C)(C)N(O)C(C)(C)C2)C(=O)OC2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1O
InChIInChI=1S/C44H78N4O12/c1-37(2)19-27(20-38(3,4)45(37)53)57-33(49)17-31(35(51)59-29-23-41(9,10)47(55)42(11,12)24-29)32(36(52)60-30-25-43(13,14)48(56)44(15,16)26-30)18-34(50)58-28-21-39(5,6)46(54)40(7,8)22-28/h27-32,53-56H,17-26H2,1-16H3
InChIKeyKTIZKSJSRBIEBR-UHFFFAOYSA-N
MW855.12 g/mol
LogP6.82
Rot. Bonds11

About tetrakis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate

tetrakis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate (PubChem CID 14512552) has the molecular formula C44H78N4O12 and a molecular weight of 855.12 g/mol. Its IUPAC name is tetrakis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate.

Molecular Properties

Compound Nametetrakis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate
PubChem CID14512552
Molecular FormulaC44H78N4O12
Molecular Weight855.12 g/mol
Exact Mass854.56
IUPAC Nametetrakis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate
SMILESCC1(C)CC(OC(=O)CC(C(=O)OC2CC(C)(C)N(O)C(C)(C)C2)C(CC(=O)OC2CC(C)(C)N(O)C(C)(C)C2)C(=O)OC2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1O
InChIInChI=1S/C44H78N4O12/c1-37(2)19-27(20-38(3,4)45(37)53)57-33(49)17-31(35(51)59-29-23-41(9,10)47(55)42(11,12)24-29)32(36(52)60-30-25-43(13,14)48(56)44(15,16)26-30)18-34(50)58-28-21-39(5,6)46(54)40(7,8)22-28/h27-32,53-56H,17-26H2,1-16H3
InChIKeyKTIZKSJSRBIEBR-UHFFFAOYSA-N
XLogP6.82
TPSA199.08 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds11
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500855.12
LogP ≤ 56.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

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(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate?
The IUPAC name of tetrakis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate (CID 14512552) is tetrakis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate.
What is the SMILES notation for tetrakis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate?
The canonical SMILES for tetrakis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate is CC1(C)CC(OC(=O)CC(C(=O)OC2CC(C)(C)N(O)C(C)(C)C2)C(CC(=O)OC2CC(C)(C)N(O)C(C)(C)C2)C(=O)OC2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1O.
What is the InChIKey of tetrakis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate?
The InChIKey is KTIZKSJSRBIEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H78N4O12/c1-37(2)19-27(20-38(3,4)45(37)53)57-33(49)17-31(35(51)59-29-23-41(9,10)47(55)42(11,12)24-29)32(36(52)60-30-25-43(13,14)48(56)44(15,16)26-30)18-34(50)58-28-21-39(5,6)46(54)40(7,8)22-28/h27-32,53-56H,17-26H2,1-16H3.
What are the key properties of tetrakis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate?
tetrakis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate has a molecular weight of 855.12 g/mol, XLogP of 6.82, 11 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate is sourced from PubChem (CID 14512552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).