(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 2-[(3,5-ditert-butylphenyl)methyl]-2-[1-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)oxyethenyl]decanoate

C51H90N2O3 — CID 143317326

IUPAC(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 2-[(3,5-ditert-butylphenyl)methyl]-2-[1-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)oxyethenyl]decanoate
SMILESC=C(OC1CC(C)(CC)NC(C)(CC)C1C)C(CCCCCCCC)(Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1)C(=O)OC1CC(C)(CC)NC(C)(CC)C1C
InChIInChI=1S/C51H90N2O3/c1-19-24-25-26-27-28-29-51(33-39-30-40(45(9,10)11)32-41(31-39)46(12,13)14,38(8)55-42-34-47(15,20-2)52-49(17,22-4)36(42)6)44(54)56-43-35-48(16,21-3)53-50(18,23-5)37(43)7/h30-32,36-37,42-43,52-53H,8,19-29,33-35H2,1-7,9-18H3
InChIKeyOTHGQQLRRANODD-UHFFFAOYSA-N
MW779.29 g/mol
LogP13.31
Rot. Bonds18

About (2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 2-[(3,5-ditert-butylphenyl)methyl]-2-[1-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)oxyethenyl]decanoate

(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 2-[(3,5-ditert-butylphenyl)methyl]-2-[1-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)oxyethenyl]decanoate (PubChem CID 143317326) has the molecular formula C51H90N2O3 and a molecular weight of 779.29 g/mol. Its IUPAC name is (2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 2-[(3,5-ditert-butylphenyl)methyl]-2-[1-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)oxyethenyl]decanoate.

Molecular Properties

Compound Name(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 2-[(3,5-ditert-butylphenyl)methyl]-2-[1-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)oxyethenyl]decanoate
PubChem CID143317326
Molecular FormulaC51H90N2O3
Molecular Weight779.29 g/mol
Exact Mass778.70
IUPAC Name(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 2-[(3,5-ditert-butylphenyl)methyl]-2-[1-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)oxyethenyl]decanoate
SMILESC=C(OC1CC(C)(CC)NC(C)(CC)C1C)C(CCCCCCCC)(Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1)C(=O)OC1CC(C)(CC)NC(C)(CC)C1C
InChIInChI=1S/C51H90N2O3/c1-19-24-25-26-27-28-29-51(33-39-30-40(45(9,10)11)32-41(31-39)46(12,13)14,38(8)55-42-34-47(15,20-2)52-49(17,22-4)36(42)6)44(54)56-43-35-48(16,21-3)53-50(18,23-5)37(43)7/h30-32,36-37,42-43,52-53H,8,19-29,33-35H2,1-7,9-18H3
InChIKeyOTHGQQLRRANODD-UHFFFAOYSA-N
XLogP13.31
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.29
LogP ≤ 513.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 2-[(3,5-ditert-butylphenyl)methyl]-2-[1-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)oxyethenyl]decanoate?
The IUPAC name of (2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 2-[(3,5-ditert-butylphenyl)methyl]-2-[1-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)oxyethenyl]decanoate (CID 143317326) is (2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 2-[(3,5-ditert-butylphenyl)methyl]-2-[1-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)oxyethenyl]decanoate.
What is the SMILES notation for (2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 2-[(3,5-ditert-butylphenyl)methyl]-2-[1-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)oxyethenyl]decanoate?
The canonical SMILES for (2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 2-[(3,5-ditert-butylphenyl)methyl]-2-[1-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)oxyethenyl]decanoate is C=C(OC1CC(C)(CC)NC(C)(CC)C1C)C(CCCCCCCC)(Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1)C(=O)OC1CC(C)(CC)NC(C)(CC)C1C.
What is the InChIKey of (2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 2-[(3,5-ditert-butylphenyl)methyl]-2-[1-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)oxyethenyl]decanoate?
The InChIKey is OTHGQQLRRANODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H90N2O3/c1-19-24-25-26-27-28-29-51(33-39-30-40(45(9,10)11)32-41(31-39)46(12,13)14,38(8)55-42-34-47(15,20-2)52-49(17,22-4)36(42)6)44(54)56-43-35-48(16,21-3)53-50(18,23-5)37(43)7/h30-32,36-37,42-43,52-53H,8,19-29,33-35H2,1-7,9-18H3.
What are the key properties of (2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 2-[(3,5-ditert-butylphenyl)methyl]-2-[1-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)oxyethenyl]decanoate?
(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 2-[(3,5-ditert-butylphenyl)methyl]-2-[1-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)oxyethenyl]decanoate has a molecular weight of 779.29 g/mol, XLogP of 13.31, 18 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 2-[(3,5-ditert-butylphenyl)methyl]-2-[1-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)oxyethenyl]decanoate is sourced from PubChem (CID 143317326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).