bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-benzyl-2-butylpropanedioate

C32H52N2O4 — CID 20512112

IUPACbis(2,2,6,6-tetramethylpiperidin-4-yl) 2-benzyl-2-butylpropanedioate
SMILESCCCCC(Cc1ccccc1)(C(=O)OC1CC(C)(C)NC(C)(C)C1)C(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C32H52N2O4/c1-10-11-17-32(18-23-15-13-12-14-16-23,26(35)37-24-19-28(2,3)33-29(4,5)20-24)27(36)38-25-21-30(6,7)34-31(8,9)22-25/h12-16,24-25,33-34H,10-11,17-22H2,1-9H3
InChIKeyAKUULNKWUHAVIX-UHFFFAOYSA-N
MW528.78 g/mol
LogP6.11
Rot. Bonds9

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

bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-benzyl-2-butylpropanedioate (PubChem CID 20512112) has the molecular formula C32H52N2O4 and a molecular weight of 528.78 g/mol. Its IUPAC name is bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-benzyl-2-butylpropanedioate.

Molecular Properties

Compound Namebis(2,2,6,6-tetramethylpiperidin-4-yl) 2-benzyl-2-butylpropanedioate
PubChem CID20512112
Molecular FormulaC32H52N2O4
Molecular Weight528.78 g/mol
Exact Mass528.39
IUPAC Namebis(2,2,6,6-tetramethylpiperidin-4-yl) 2-benzyl-2-butylpropanedioate
SMILESCCCCC(Cc1ccccc1)(C(=O)OC1CC(C)(C)NC(C)(C)C1)C(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C32H52N2O4/c1-10-11-17-32(18-23-15-13-12-14-16-23,26(35)37-24-19-28(2,3)33-29(4,5)20-24)27(36)38-25-21-30(6,7)34-31(8,9)22-25/h12-16,24-25,33-34H,10-11,17-22H2,1-9H3
InChIKeyAKUULNKWUHAVIX-UHFFFAOYSA-N
XLogP6.11
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.78
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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(2,2,6,6-tetramethylpiperidin-4-yl) 2-benzyl-2-butylpropanedioate?
The IUPAC name of bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-benzyl-2-butylpropanedioate (CID 20512112) is bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-benzyl-2-butylpropanedioate.
What is the SMILES notation for bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-benzyl-2-butylpropanedioate?
The canonical SMILES for bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-benzyl-2-butylpropanedioate is CCCCC(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-butylpropanedioate?
The InChIKey is AKUULNKWUHAVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H52N2O4/c1-10-11-17-32(18-23-15-13-12-14-16-23,26(35)37-24-19-28(2,3)33-29(4,5)20-24)27(36)38-25-21-30(6,7)34-31(8,9)22-25/h12-16,24-25,33-34H,10-11,17-22H2,1-9H3.
What are the key properties of bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-benzyl-2-butylpropanedioate?
bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-benzyl-2-butylpropanedioate has a molecular weight of 528.78 g/mol, XLogP of 6.11, 9 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-butylpropanedioate is sourced from PubChem (CID 20512112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).