[2,3,4-tris[(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxy]cyclohexyl] 2,2,6,6-tetramethylpiperidine-4-carboxylate

C46H80N4O8 — CID 139317427

IUPAC[2,3,4-tris[(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxy]cyclohexyl] 2,2,6,6-tetramethylpiperidine-4-carboxylate
SMILESCC1(C)CC(C(=O)OC2CCC(OC(=O)C3CC(C)(C)NC(C)(C)C3)C(OC(=O)C3CC(C)(C)NC(C)(C)C3)C2OC(=O)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C46H80N4O8/c1-39(2)19-27(20-40(3,4)47-39)35(51)55-31-17-18-32(56-36(52)28-21-41(5,6)48-42(7,8)22-28)34(58-38(54)30-25-45(13,14)50-46(15,16)26-30)33(31)57-37(53)29-23-43(9,10)49-44(11,12)24-29/h27-34,47-50H,17-26H2,1-16H3
InChIKeyHQMMFYLBOIARRE-UHFFFAOYSA-N
MW817.17 g/mol
LogP6.65
Rot. Bonds8

About [2,3,4-tris[(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxy]cyclohexyl] 2,2,6,6-tetramethylpiperidine-4-carboxylate

[2,3,4-tris[(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxy]cyclohexyl] 2,2,6,6-tetramethylpiperidine-4-carboxylate (PubChem CID 139317427) has the molecular formula C46H80N4O8 and a molecular weight of 817.17 g/mol. Its IUPAC name is [2,3,4-tris[(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxy]cyclohexyl] 2,2,6,6-tetramethylpiperidine-4-carboxylate.

Molecular Properties

Compound Name[2,3,4-tris[(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxy]cyclohexyl] 2,2,6,6-tetramethylpiperidine-4-carboxylate
PubChem CID139317427
Molecular FormulaC46H80N4O8
Molecular Weight817.17 g/mol
Exact Mass816.60
IUPAC Name[2,3,4-tris[(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxy]cyclohexyl] 2,2,6,6-tetramethylpiperidine-4-carboxylate
SMILESCC1(C)CC(C(=O)OC2CCC(OC(=O)C3CC(C)(C)NC(C)(C)C3)C(OC(=O)C3CC(C)(C)NC(C)(C)C3)C2OC(=O)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C46H80N4O8/c1-39(2)19-27(20-40(3,4)47-39)35(51)55-31-17-18-32(56-36(52)28-21-41(5,6)48-42(7,8)22-28)34(58-38(54)30-25-45(13,14)50-46(15,16)26-30)33(31)57-37(53)29-23-43(9,10)49-44(11,12)24-29/h27-34,47-50H,17-26H2,1-16H3
InChIKeyHQMMFYLBOIARRE-UHFFFAOYSA-N
XLogP6.65
TPSA153.32 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500817.17
LogP ≤ 56.65
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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Related Compounds

[2-(1,2,2,6,6-pentamethylpiperidine-4-carbonyl)oxy-3-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxycyclopentyl] 1,2,2,6,6-pentamethylpiperidine-4-carboxylate
CID 139317505
bis(2,2,6,6-tetramethylpiperidin-4-yl) cyclohexane-1,4-dicarboxylate
CID 67107833
(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxy 2,2,6,6-tetramethylpiperidine-4-carboperoxoate
CID 172808685
bis(2,2,6,6-tetramethylpiperidin-4-yl) cyclohexane-1,2-dicarboxylate
CID 70594525
tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) ethene-1,1,2,2-tetracarboxylate
CID 22761497
2-(2,2,6,6-tetramethylpiperidin-4-yl)oxyprop-2-enoate
CID 21330422
3-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxybutyl 2,2,6,6-tetramethylpiperidine-4-carboxylate
CID 155039442
3-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxybutyl 2,2,6,6-tetramethylpiperidine-4-carboxylate;hydrate
CID 155039441
bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dimethylpropanedioate
CID 139985901
iodo (2,2,6,6-tetramethylpiperidin-4-yl) carbonate
CID 163508092
2-phenylethyl 2,2,6,6-tetramethylpiperidine-4-carboxylate
CID 150487306
N-cyclohexyl-2,2,6,6-tetramethylpiperidine-4-carboxamide
CID 90092330

Frequently Asked Questions

What is the IUPAC name of [2,3,4-tris[(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxy]cyclohexyl] 2,2,6,6-tetramethylpiperidine-4-carboxylate?
The IUPAC name of [2,3,4-tris[(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxy]cyclohexyl] 2,2,6,6-tetramethylpiperidine-4-carboxylate (CID 139317427) is [2,3,4-tris[(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxy]cyclohexyl] 2,2,6,6-tetramethylpiperidine-4-carboxylate.
What is the SMILES notation for [2,3,4-tris[(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxy]cyclohexyl] 2,2,6,6-tetramethylpiperidine-4-carboxylate?
The canonical SMILES for [2,3,4-tris[(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxy]cyclohexyl] 2,2,6,6-tetramethylpiperidine-4-carboxylate is CC1(C)CC(C(=O)OC2CCC(OC(=O)C3CC(C)(C)NC(C)(C)C3)C(OC(=O)C3CC(C)(C)NC(C)(C)C3)C2OC(=O)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.
What is the InChIKey of [2,3,4-tris[(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxy]cyclohexyl] 2,2,6,6-tetramethylpiperidine-4-carboxylate?
The InChIKey is HQMMFYLBOIARRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H80N4O8/c1-39(2)19-27(20-40(3,4)47-39)35(51)55-31-17-18-32(56-36(52)28-21-41(5,6)48-42(7,8)22-28)34(58-38(54)30-25-45(13,14)50-46(15,16)26-30)33(31)57-37(53)29-23-43(9,10)49-44(11,12)24-29/h27-34,47-50H,17-26H2,1-16H3.
What are the key properties of [2,3,4-tris[(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxy]cyclohexyl] 2,2,6,6-tetramethylpiperidine-4-carboxylate?
[2,3,4-tris[(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxy]cyclohexyl] 2,2,6,6-tetramethylpiperidine-4-carboxylate has a molecular weight of 817.17 g/mol, XLogP of 6.65, 8 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3,4-tris[(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxy]cyclohexyl] 2,2,6,6-tetramethylpiperidine-4-carboxylate is sourced from PubChem (CID 139317427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).