bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-benzyl-2-prop-2-enylpropanedioate

C31H48N2O4 — CID 54060575

IUPACbis(2,2,6,6-tetramethylpiperidin-4-yl) 2-benzyl-2-prop-2-enylpropanedioate
SMILESC=CCC(Cc1ccccc1)(C(=O)OC1CC(C)(C)NC(C)(C)C1)C(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C31H48N2O4/c1-10-16-31(17-22-14-12-11-13-15-22,25(34)36-23-18-27(2,3)32-28(4,5)19-23)26(35)37-24-20-29(6,7)33-30(8,9)21-24/h10-15,23-24,32-33H,1,16-21H2,2-9H3
InChIKeyLZKFKPSOSXHRNA-UHFFFAOYSA-N
MW512.74 g/mol
LogP5.50
Rot. Bonds8

About bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-benzyl-2-prop-2-enylpropanedioate

bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-benzyl-2-prop-2-enylpropanedioate (PubChem CID 54060575) has the molecular formula C31H48N2O4 and a molecular weight of 512.74 g/mol. Its IUPAC name is bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-benzyl-2-prop-2-enylpropanedioate.

Molecular Properties

Compound Namebis(2,2,6,6-tetramethylpiperidin-4-yl) 2-benzyl-2-prop-2-enylpropanedioate
PubChem CID54060575
Molecular FormulaC31H48N2O4
Molecular Weight512.74 g/mol
Exact Mass512.36
IUPAC Namebis(2,2,6,6-tetramethylpiperidin-4-yl) 2-benzyl-2-prop-2-enylpropanedioate
SMILESC=CCC(Cc1ccccc1)(C(=O)OC1CC(C)(C)NC(C)(C)C1)C(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C31H48N2O4/c1-10-16-31(17-22-14-12-11-13-15-22,25(34)36-23-18-27(2,3)32-28(4,5)19-23)26(35)37-24-20-29(6,7)33-30(8,9)21-24/h10-15,23-24,32-33H,1,16-21H2,2-9H3
InChIKeyLZKFKPSOSXHRNA-UHFFFAOYSA-N
XLogP5.50
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.74
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-benzyl-2-prop-2-enylpropanedioate?
The IUPAC name of bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-benzyl-2-prop-2-enylpropanedioate (CID 54060575) is bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-benzyl-2-prop-2-enylpropanedioate.
What is the SMILES notation for bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-benzyl-2-prop-2-enylpropanedioate?
The canonical SMILES for bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-benzyl-2-prop-2-enylpropanedioate is C=CCC(Cc1ccccc1)(C(=O)OC1CC(C)(C)NC(C)(C)C1)C(=O)OC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-benzyl-2-prop-2-enylpropanedioate?
The InChIKey is LZKFKPSOSXHRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H48N2O4/c1-10-16-31(17-22-14-12-11-13-15-22,25(34)36-23-18-27(2,3)32-28(4,5)19-23)26(35)37-24-20-29(6,7)33-30(8,9)21-24/h10-15,23-24,32-33H,1,16-21H2,2-9H3.
What are the key properties of bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-benzyl-2-prop-2-enylpropanedioate?
bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-benzyl-2-prop-2-enylpropanedioate has a molecular weight of 512.74 g/mol, XLogP of 5.50, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-benzyl-2-prop-2-enylpropanedioate is sourced from PubChem (CID 54060575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).