bis(2,2,6,6-tetramethylpiperidin-4-yl) 3-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylcyclohexyl]benzene-1,2-dicarboxylate

C42H67N3O6 — CID 118874476

IUPACbis(2,2,6,6-tetramethylpiperidin-4-yl) 3-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylcyclohexyl]benzene-1,2-dicarboxylate
SMILESCC1(C)CC(OC(=O)c2cccc(C3CCC(C(=O)OC4CC(C)(C)NC(C)(C)C4)CC3)c2C(=O)OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C42H67N3O6/c1-37(2)20-28(21-38(3,4)43-37)49-34(46)27-18-16-26(17-19-27)31-14-13-15-32(35(47)50-29-22-39(5,6)44-40(7,8)23-29)33(31)36(48)51-30-24-41(9,10)45-42(11,12)25-30/h13-15,26-30,43-45H,16-25H2,1-12H3
InChIKeyWLOMTVQPXALHGN-UHFFFAOYSA-N
MW710.01 g/mol
LogP7.74
Rot. Bonds7

About bis(2,2,6,6-tetramethylpiperidin-4-yl) 3-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylcyclohexyl]benzene-1,2-dicarboxylate

bis(2,2,6,6-tetramethylpiperidin-4-yl) 3-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylcyclohexyl]benzene-1,2-dicarboxylate (PubChem CID 118874476) has the molecular formula C42H67N3O6 and a molecular weight of 710.01 g/mol. Its IUPAC name is bis(2,2,6,6-tetramethylpiperidin-4-yl) 3-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylcyclohexyl]benzene-1,2-dicarboxylate.

Molecular Properties

Compound Namebis(2,2,6,6-tetramethylpiperidin-4-yl) 3-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylcyclohexyl]benzene-1,2-dicarboxylate
PubChem CID118874476
Molecular FormulaC42H67N3O6
Molecular Weight710.01 g/mol
Exact Mass709.50
IUPAC Namebis(2,2,6,6-tetramethylpiperidin-4-yl) 3-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylcyclohexyl]benzene-1,2-dicarboxylate
SMILESCC1(C)CC(OC(=O)c2cccc(C3CCC(C(=O)OC4CC(C)(C)NC(C)(C)C4)CC3)c2C(=O)OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C42H67N3O6/c1-37(2)20-28(21-38(3,4)43-37)49-34(46)27-18-16-26(17-19-27)31-14-13-15-32(35(47)50-29-22-39(5,6)44-40(7,8)23-29)33(31)36(48)51-30-24-41(9,10)45-42(11,12)25-30/h13-15,26-30,43-45H,16-25H2,1-12H3
InChIKeyWLOMTVQPXALHGN-UHFFFAOYSA-N
XLogP7.74
TPSA114.99 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.01
LogP ≤ 57.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze bis(2,2,6,6-tetramethylpiperidin-4-yl) 3-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylcyclohexyl]benzene-1,2-dicarboxylate 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) 3-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylcyclohexyl]benzene-1,2-dicarboxylate?
The IUPAC name of bis(2,2,6,6-tetramethylpiperidin-4-yl) 3-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylcyclohexyl]benzene-1,2-dicarboxylate (CID 118874476) is bis(2,2,6,6-tetramethylpiperidin-4-yl) 3-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylcyclohexyl]benzene-1,2-dicarboxylate.
What is the SMILES notation for bis(2,2,6,6-tetramethylpiperidin-4-yl) 3-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylcyclohexyl]benzene-1,2-dicarboxylate?
The canonical SMILES for bis(2,2,6,6-tetramethylpiperidin-4-yl) 3-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylcyclohexyl]benzene-1,2-dicarboxylate is CC1(C)CC(OC(=O)c2cccc(C3CCC(C(=O)OC4CC(C)(C)NC(C)(C)C4)CC3)c2C(=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) 3-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylcyclohexyl]benzene-1,2-dicarboxylate?
The InChIKey is WLOMTVQPXALHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H67N3O6/c1-37(2)20-28(21-38(3,4)43-37)49-34(46)27-18-16-26(17-19-27)31-14-13-15-32(35(47)50-29-22-39(5,6)44-40(7,8)23-29)33(31)36(48)51-30-24-41(9,10)45-42(11,12)25-30/h13-15,26-30,43-45H,16-25H2,1-12H3.
What are the key properties of bis(2,2,6,6-tetramethylpiperidin-4-yl) 3-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylcyclohexyl]benzene-1,2-dicarboxylate?
bis(2,2,6,6-tetramethylpiperidin-4-yl) 3-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylcyclohexyl]benzene-1,2-dicarboxylate has a molecular weight of 710.01 g/mol, XLogP of 7.74, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2,6,6-tetramethylpiperidin-4-yl) 3-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylcyclohexyl]benzene-1,2-dicarboxylate is sourced from PubChem (CID 118874476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).