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

C33H62N2O4 — CID 20512096

IUPACbis(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl) 2,2-diethylpropanedioate
SMILESCCCCN1C(C)(C)CC(OC(=O)C(CC)(CC)C(=O)OC2CC(C)(C)N(CCCC)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C33H62N2O4/c1-13-17-19-34-29(5,6)21-25(22-30(34,7)8)38-27(36)33(15-3,16-4)28(37)39-26-23-31(9,10)35(20-18-14-2)32(11,12)24-26/h25-26H,13-24H2,1-12H3
InChIKeyLPYNRFGUZTXBIS-UHFFFAOYSA-N
MW550.87 g/mol
LogP7.52
Rot. Bonds12

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

bis(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl) 2,2-diethylpropanedioate (PubChem CID 20512096) has the molecular formula C33H62N2O4 and a molecular weight of 550.87 g/mol. Its IUPAC name is bis(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl) 2,2-diethylpropanedioate.

Molecular Properties

Compound Namebis(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl) 2,2-diethylpropanedioate
PubChem CID20512096
Molecular FormulaC33H62N2O4
Molecular Weight550.87 g/mol
Exact Mass550.47
IUPAC Namebis(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl) 2,2-diethylpropanedioate
SMILESCCCCN1C(C)(C)CC(OC(=O)C(CC)(CC)C(=O)OC2CC(C)(C)N(CCCC)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C33H62N2O4/c1-13-17-19-34-29(5,6)21-25(22-30(34,7)8)38-27(36)33(15-3,16-4)28(37)39-26-23-31(9,10)35(20-18-14-2)32(11,12)24-26/h25-26H,13-24H2,1-12H3
InChIKeyLPYNRFGUZTXBIS-UHFFFAOYSA-N
XLogP7.52
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.87
LogP ≤ 57.52
H-Bond Donors ≤ 50
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(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl) 2,2-diethylpropanedioate?
The IUPAC name of bis(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl) 2,2-diethylpropanedioate (CID 20512096) is bis(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl) 2,2-diethylpropanedioate.
What is the SMILES notation for bis(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl) 2,2-diethylpropanedioate?
The canonical SMILES for bis(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl) 2,2-diethylpropanedioate is CCCCN1C(C)(C)CC(OC(=O)C(CC)(CC)C(=O)OC2CC(C)(C)N(CCCC)C(C)(C)C2)CC1(C)C.
What is the InChIKey of bis(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl) 2,2-diethylpropanedioate?
The InChIKey is LPYNRFGUZTXBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H62N2O4/c1-13-17-19-34-29(5,6)21-25(22-30(34,7)8)38-27(36)33(15-3,16-4)28(37)39-26-23-31(9,10)35(20-18-14-2)32(11,12)24-26/h25-26H,13-24H2,1-12H3.
What are the key properties of bis(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl) 2,2-diethylpropanedioate?
bis(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl) 2,2-diethylpropanedioate has a molecular weight of 550.87 g/mol, XLogP of 7.52, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl) 2,2-diethylpropanedioate is sourced from PubChem (CID 20512096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).