bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dibenzylpropanedioate

C35H50N2O4 — CID 20512128

IUPACbis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dibenzylpropanedioate
SMILESCC1(C)CC(OC(=O)C(Cc2ccccc2)(Cc2ccccc2)C(=O)OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C35H50N2O4/c1-31(2)21-27(22-32(3,4)36-31)40-29(38)35(19-25-15-11-9-12-16-25,20-26-17-13-10-14-18-26)30(39)41-28-23-33(5,6)37-34(7,8)24-28/h9-18,27-28,36-37H,19-24H2,1-8H3
InChIKeyRSDBZQKUILQTCZ-UHFFFAOYSA-N
MW562.80 g/mol
LogP6.16
Rot. Bonds8

About bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dibenzylpropanedioate

bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dibenzylpropanedioate (PubChem CID 20512128) has the molecular formula C35H50N2O4 and a molecular weight of 562.80 g/mol. Its IUPAC name is bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dibenzylpropanedioate.

Molecular Properties

Compound Namebis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dibenzylpropanedioate
PubChem CID20512128
Molecular FormulaC35H50N2O4
Molecular Weight562.80 g/mol
Exact Mass562.38
IUPAC Namebis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dibenzylpropanedioate
SMILESCC1(C)CC(OC(=O)C(Cc2ccccc2)(Cc2ccccc2)C(=O)OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C35H50N2O4/c1-31(2)21-27(22-32(3,4)36-31)40-29(38)35(19-25-15-11-9-12-16-25,20-26-17-13-10-14-18-26)30(39)41-28-23-33(5,6)37-34(7,8)24-28/h9-18,27-28,36-37H,19-24H2,1-8H3
InChIKeyRSDBZQKUILQTCZ-UHFFFAOYSA-N
XLogP6.16
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.80
LogP ≤ 56.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dibenzylpropanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dibenzylpropanedioate?
The IUPAC name of bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dibenzylpropanedioate (CID 20512128) is bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dibenzylpropanedioate.
What is the SMILES notation for bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dibenzylpropanedioate?
The canonical SMILES for bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dibenzylpropanedioate is CC1(C)CC(OC(=O)C(Cc2ccccc2)(Cc2ccccc2)C(=O)OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.
What is the InChIKey of bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dibenzylpropanedioate?
The InChIKey is RSDBZQKUILQTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H50N2O4/c1-31(2)21-27(22-32(3,4)36-31)40-29(38)35(19-25-15-11-9-12-16-25,20-26-17-13-10-14-18-26)30(39)41-28-23-33(5,6)37-34(7,8)24-28/h9-18,27-28,36-37H,19-24H2,1-8H3.
What are the key properties of bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dibenzylpropanedioate?
bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dibenzylpropanedioate has a molecular weight of 562.80 g/mol, XLogP of 6.16, 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) 2,2-dibenzylpropanedioate is sourced from PubChem (CID 20512128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).