tetrakis(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl) benzene-1,2,4,5-tetracarboxylate

C54H90N4O8 — CID 121244457

IUPACtetrakis(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl) benzene-1,2,4,5-tetracarboxylate
SMILESCC(C)C1(C)CC(OC(=O)c2cc(C(=O)OC3CC(C)(C)NC(C)(C(C)C)C3)c(C(=O)OC3CC(C)(C)NC(C)(C(C)C)C3)cc2C(=O)OC2CC(C)(C)NC(C)(C(C)C)C2)CC(C)(C)N1
InChIInChI=1S/C54H90N4O8/c1-31(2)51(17)27-35(23-47(9,10)55-51)63-43(59)39-21-41(45(61)65-37-25-49(13,14)57-53(19,29-37)33(5)6)42(46(62)66-38-26-50(15,16)58-54(20,30-38)34(7)8)22-40(39)44(60)64-36-24-48(11,12)56-52(18,28-36)32(3)4/h21-22,31-38,55-58H,23-30H2,1-20H3
InChIKeyZXZZZYSZWPRHHG-UHFFFAOYSA-N
MW923.33 g/mol
LogP10.10
Rot. Bonds12

About tetrakis(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl) benzene-1,2,4,5-tetracarboxylate

tetrakis(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl) benzene-1,2,4,5-tetracarboxylate (PubChem CID 121244457) has the molecular formula C54H90N4O8 and a molecular weight of 923.33 g/mol. Its IUPAC name is tetrakis(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl) benzene-1,2,4,5-tetracarboxylate.

Molecular Properties

Compound Nametetrakis(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl) benzene-1,2,4,5-tetracarboxylate
PubChem CID121244457
Molecular FormulaC54H90N4O8
Molecular Weight923.33 g/mol
Exact Mass922.68
IUPAC Nametetrakis(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl) benzene-1,2,4,5-tetracarboxylate
SMILESCC(C)C1(C)CC(OC(=O)c2cc(C(=O)OC3CC(C)(C)NC(C)(C(C)C)C3)c(C(=O)OC3CC(C)(C)NC(C)(C(C)C)C3)cc2C(=O)OC2CC(C)(C)NC(C)(C(C)C)C2)CC(C)(C)N1
InChIInChI=1S/C54H90N4O8/c1-31(2)51(17)27-35(23-47(9,10)55-51)63-43(59)39-21-41(45(61)65-37-25-49(13,14)57-53(19,29-37)33(5)6)42(46(62)66-38-26-50(15,16)58-54(20,30-38)34(7)8)22-40(39)44(60)64-36-24-48(11,12)56-52(18,28-36)32(3)4/h21-22,31-38,55-58H,23-30H2,1-20H3
InChIKeyZXZZZYSZWPRHHG-UHFFFAOYSA-N
XLogP10.10
TPSA153.32 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500923.33
LogP ≤ 510.10
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-trimethyl-6-propan-2-ylpiperidin-4-yl) benzene-1,2,4,5-tetracarboxylate?
The IUPAC name of tetrakis(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl) benzene-1,2,4,5-tetracarboxylate (CID 121244457) is tetrakis(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl) benzene-1,2,4,5-tetracarboxylate.
What is the SMILES notation for tetrakis(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl) benzene-1,2,4,5-tetracarboxylate?
The canonical SMILES for tetrakis(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl) benzene-1,2,4,5-tetracarboxylate is CC(C)C1(C)CC(OC(=O)c2cc(C(=O)OC3CC(C)(C)NC(C)(C(C)C)C3)c(C(=O)OC3CC(C)(C)NC(C)(C(C)C)C3)cc2C(=O)OC2CC(C)(C)NC(C)(C(C)C)C2)CC(C)(C)N1.
What is the InChIKey of tetrakis(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl) benzene-1,2,4,5-tetracarboxylate?
The InChIKey is ZXZZZYSZWPRHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H90N4O8/c1-31(2)51(17)27-35(23-47(9,10)55-51)63-43(59)39-21-41(45(61)65-37-25-49(13,14)57-53(19,29-37)33(5)6)42(46(62)66-38-26-50(15,16)58-54(20,30-38)34(7)8)22-40(39)44(60)64-36-24-48(11,12)56-52(18,28-36)32(3)4/h21-22,31-38,55-58H,23-30H2,1-20H3.
What are the key properties of tetrakis(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl) benzene-1,2,4,5-tetracarboxylate?
tetrakis(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl) benzene-1,2,4,5-tetracarboxylate has a molecular weight of 923.33 g/mol, XLogP of 10.10, 12 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl) benzene-1,2,4,5-tetracarboxylate is sourced from PubChem (CID 121244457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).