bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2,2-diethylpropanedioate

C25H46N2O6 — CID 14512548

IUPACbis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2,2-diethylpropanedioate
SMILESCCC(CC)(C(=O)OC1CC(C)(C)N(O)C(C)(C)C1)C(=O)OC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C25H46N2O6/c1-11-25(12-2,19(28)32-17-13-21(3,4)26(30)22(5,6)14-17)20(29)33-18-15-23(7,8)27(31)24(9,10)16-18/h17-18,30-31H,11-16H2,1-10H3
InChIKeyTZXCUAGJURJYFE-UHFFFAOYSA-N
MW470.65 g/mol
LogP4.70
Rot. Bonds6

About bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2,2-diethylpropanedioate

bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2,2-diethylpropanedioate (PubChem CID 14512548) has the molecular formula C25H46N2O6 and a molecular weight of 470.65 g/mol. Its IUPAC name is bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2,2-diethylpropanedioate.

Molecular Properties

Compound Namebis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2,2-diethylpropanedioate
PubChem CID14512548
Molecular FormulaC25H46N2O6
Molecular Weight470.65 g/mol
Exact Mass470.34
IUPAC Namebis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2,2-diethylpropanedioate
SMILESCCC(CC)(C(=O)OC1CC(C)(C)N(O)C(C)(C)C1)C(=O)OC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C25H46N2O6/c1-11-25(12-2,19(28)32-17-13-21(3,4)26(30)22(5,6)14-17)20(29)33-18-15-23(7,8)27(31)24(9,10)16-18/h17-18,30-31H,11-16H2,1-10H3
InChIKeyTZXCUAGJURJYFE-UHFFFAOYSA-N
XLogP4.70
TPSA99.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.65
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2,2-diethylpropanedioate?
The IUPAC name of bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2,2-diethylpropanedioate (CID 14512548) is bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2,2-diethylpropanedioate.
What is the SMILES notation for bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2,2-diethylpropanedioate?
The canonical SMILES for bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2,2-diethylpropanedioate is CCC(CC)(C(=O)OC1CC(C)(C)N(O)C(C)(C)C1)C(=O)OC1CC(C)(C)N(O)C(C)(C)C1.
What is the InChIKey of bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2,2-diethylpropanedioate?
The InChIKey is TZXCUAGJURJYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46N2O6/c1-11-25(12-2,19(28)32-17-13-21(3,4)26(30)22(5,6)14-17)20(29)33-18-15-23(7,8)27(31)24(9,10)16-18/h17-18,30-31H,11-16H2,1-10H3.
What are the key properties of bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2,2-diethylpropanedioate?
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2,2-diethylpropanedioate has a molecular weight of 470.65 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2,2-diethylpropanedioate is sourced from PubChem (CID 14512548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).