bis[1-[4-[1-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]ethyl] decanedioate

C62H84N2O10 — CID 20771162

IUPACbis[1-[4-[1-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]ethyl] decanedioate
SMILESCC(OC(=O)CCCCCCCCC(=O)OC(C)c1ccc(C(C)ON2C(C)(C)CC(OC(=O)c3ccccc3)CC2(C)C)cc1)c1ccc(C(C)ON2C(C)(C)CC(OC(=O)c3ccccc3)CC2(C)C)cc1
InChIInChI=1S/C62H84N2O10/c1-43(47-31-35-49(36-32-47)45(3)73-63-59(5,6)39-53(40-60(63,7)8)71-57(67)51-25-19-17-20-26-51)69-55(65)29-23-15-13-14-16-24-30-56(66)70-44(2)48-33-37-50(38-34-48)46(4)74-64-61(9,10)41-54(42-62(64,11)12)72-58(68)52-27-21-18-22-28-52/h17-22,25-28,31-38,43-46,53-54H,13-16,23-24,29-30,39-42H2,1-12H3
InChIKeyVJWWVAWRRUGRDD-UHFFFAOYSA-N
MW1017.36 g/mol
LogP14.46
Rot. Bonds23

About bis[1-[4-[1-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]ethyl] decanedioate

bis[1-[4-[1-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]ethyl] decanedioate (PubChem CID 20771162) has the molecular formula C62H84N2O10 and a molecular weight of 1017.36 g/mol. Its IUPAC name is bis[1-[4-[1-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]ethyl] decanedioate.

Molecular Properties

Compound Namebis[1-[4-[1-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]ethyl] decanedioate
PubChem CID20771162
Molecular FormulaC62H84N2O10
Molecular Weight1017.36 g/mol
Exact Mass1016.61
IUPAC Namebis[1-[4-[1-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]ethyl] decanedioate
SMILESCC(OC(=O)CCCCCCCCC(=O)OC(C)c1ccc(C(C)ON2C(C)(C)CC(OC(=O)c3ccccc3)CC2(C)C)cc1)c1ccc(C(C)ON2C(C)(C)CC(OC(=O)c3ccccc3)CC2(C)C)cc1
InChIInChI=1S/C62H84N2O10/c1-43(47-31-35-49(36-32-47)45(3)73-63-59(5,6)39-53(40-60(63,7)8)71-57(67)51-25-19-17-20-26-51)69-55(65)29-23-15-13-14-16-24-30-56(66)70-44(2)48-33-37-50(38-34-48)46(4)74-64-61(9,10)41-54(42-62(64,11)12)72-58(68)52-27-21-18-22-28-52/h17-22,25-28,31-38,43-46,53-54H,13-16,23-24,29-30,39-42H2,1-12H3
InChIKeyVJWWVAWRRUGRDD-UHFFFAOYSA-N
XLogP14.46
TPSA130.14 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds23
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001017.36
LogP ≤ 514.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze bis[1-[4-[1-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]ethyl] decanedioate with MolForge

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

Launch Full Analysis

Related Compounds

1,4-dimethoxy-2,2,6,6-tetramethylpiperidine;(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) benzoate;[2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] benzoate
CID 158307203
[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl] tridecanoate
CID 21361323
[2-ethyl-2,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] heptanoate
CID 21361369
[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl] undecanoate
CID 21361324
[2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] naphthalene-1-carboxylate
CID 101204019
[1-[7-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyheptoxy]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate
CID 57063329
[1-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxycarbonyloxy-2,2,6,6-tetramethylpiperidin-4-yl] benzoate
CID 67852784
[1-(2,2-dimethylpropanoyloxy)-2,2,6,6-tetramethylpiperidin-4-yl] benzoate
CID 22182242
4-ethoxy-2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidine
CID 89097657
tris[2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] phosphite
CID 54125950
4-[1-(2-dodecanoyloxy-1-phenylethoxy)-2,2,6,6-tetramethylpiperidin-4-yl]oxy-4-oxobutanoic acid
CID 139948137
4-O-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl] 1-O-methyl but-2-enedioate
CID 69411574

Frequently Asked Questions

What is the IUPAC name of bis[1-[4-[1-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]ethyl] decanedioate?
The IUPAC name of bis[1-[4-[1-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]ethyl] decanedioate (CID 20771162) is bis[1-[4-[1-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]ethyl] decanedioate.
What is the SMILES notation for bis[1-[4-[1-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]ethyl] decanedioate?
The canonical SMILES for bis[1-[4-[1-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]ethyl] decanedioate is CC(OC(=O)CCCCCCCCC(=O)OC(C)c1ccc(C(C)ON2C(C)(C)CC(OC(=O)c3ccccc3)CC2(C)C)cc1)c1ccc(C(C)ON2C(C)(C)CC(OC(=O)c3ccccc3)CC2(C)C)cc1.
What is the InChIKey of bis[1-[4-[1-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]ethyl] decanedioate?
The InChIKey is VJWWVAWRRUGRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H84N2O10/c1-43(47-31-35-49(36-32-47)45(3)73-63-59(5,6)39-53(40-60(63,7)8)71-57(67)51-25-19-17-20-26-51)69-55(65)29-23-15-13-14-16-24-30-56(66)70-44(2)48-33-37-50(38-34-48)46(4)74-64-61(9,10)41-54(42-62(64,11)12)72-58(68)52-27-21-18-22-28-52/h17-22,25-28,31-38,43-46,53-54H,13-16,23-24,29-30,39-42H2,1-12H3.
What are the key properties of bis[1-[4-[1-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]ethyl] decanedioate?
bis[1-[4-[1-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]ethyl] decanedioate has a molecular weight of 1017.36 g/mol, XLogP of 14.46, 23 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis[1-[4-[1-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]ethyl] decanedioate is sourced from PubChem (CID 20771162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).