[1-[3-[2,3-bis[3-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)-2-hydroxypropoxy]propoxy]-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate

C60H89N3O12 — CID 20510591

IUPAC[1-[3-[2,3-bis[3-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)-2-hydroxypropoxy]propoxy]-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate
SMILESCC1(C)CC(OC(=O)c2ccccc2)CC(C)(C)N1CC(O)COCC(COCC(O)CN1C(C)(C)CC(OC(=O)c2ccccc2)CC1(C)C)OCC(O)CN1C(C)(C)CC(OC(=O)c2ccccc2)CC1(C)C
InChIInChI=1S/C60H89N3O12/c1-55(2)28-48(73-52(67)42-22-16-13-17-23-42)29-56(3,4)61(55)34-45(64)37-70-40-51(72-39-47(66)36-63-59(9,10)32-50(33-60(63,11)12)75-54(69)44-26-20-15-21-27-44)41-71-38-46(65)35-62-57(5,6)30-49(31-58(62,7)8)74-53(68)43-24-18-14-19-25-43/h13-27,45-51,64-66H,28-41H2,1-12H3
InChIKeyJBRLXRWYJQLJGD-UHFFFAOYSA-N
MW1044.38 g/mol
LogP8.12
Rot. Bonds23

About [1-[3-[2,3-bis[3-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)-2-hydroxypropoxy]propoxy]-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate

[1-[3-[2,3-bis[3-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)-2-hydroxypropoxy]propoxy]-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate (PubChem CID 20510591) has the molecular formula C60H89N3O12 and a molecular weight of 1044.38 g/mol. Its IUPAC name is [1-[3-[2,3-bis[3-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)-2-hydroxypropoxy]propoxy]-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate.

Molecular Properties

Compound Name[1-[3-[2,3-bis[3-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)-2-hydroxypropoxy]propoxy]-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate
PubChem CID20510591
Molecular FormulaC60H89N3O12
Molecular Weight1044.38 g/mol
Exact Mass1043.64
IUPAC Name[1-[3-[2,3-bis[3-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)-2-hydroxypropoxy]propoxy]-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate
SMILESCC1(C)CC(OC(=O)c2ccccc2)CC(C)(C)N1CC(O)COCC(COCC(O)CN1C(C)(C)CC(OC(=O)c2ccccc2)CC1(C)C)OCC(O)CN1C(C)(C)CC(OC(=O)c2ccccc2)CC1(C)C
InChIInChI=1S/C60H89N3O12/c1-55(2)28-48(73-52(67)42-22-16-13-17-23-42)29-56(3,4)61(55)34-45(64)37-70-40-51(72-39-47(66)36-63-59(9,10)32-50(33-60(63,11)12)75-54(69)44-26-20-15-21-27-44)41-71-38-46(65)35-62-57(5,6)30-49(31-58(62,7)8)74-53(68)43-24-18-14-19-25-43/h13-27,45-51,64-66H,28-41H2,1-12H3
InChIKeyJBRLXRWYJQLJGD-UHFFFAOYSA-N
XLogP8.12
TPSA177.00 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds23
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001044.38
LogP ≤ 58.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze [1-[3-[2,3-bis[3-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)-2-hydroxypropoxy]propoxy]-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate 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-[2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate
CID 67845112
[1-[3-(2-tert-butyl-6-methylphenoxy)-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate
CID 67845126
[1-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxycarbonyloxy-2,2,6,6-tetramethylpiperidin-4-yl] benzoate
CID 67852784
[1-[7-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyheptoxy]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate
CID 57063329
[1-(2,2-dimethylpropanoyloxy)-2,2,6,6-tetramethylpiperidin-4-yl] benzoate
CID 22182242
bis[1-[4-[1-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]ethyl] decanedioate
CID 20771162
[2-hydroxy-3-(2,2,6,6-tetramethyl-4-phenylmethoxypiperidin-1-yl)propyl] but-2-enoate
CID 57064867
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
(1-benzoyl-2,2,6,6-tetramethylpiperidin-4-yl) propanoate
CID 139992173
(4-hydroxy-3,3,5-trimethylcyclohexyl) benzoate
CID 70364620
[1-[3-[3-(3-tert-butyl-4-hydroxy-5-methylphenyl)-3-hydroxy-2-oxopropoxy]propyl]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate
CID 57146547
bis(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl) (1S,4R)-bicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 54571692

Frequently Asked Questions

What is the IUPAC name of [1-[3-[2,3-bis[3-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)-2-hydroxypropoxy]propoxy]-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate?
The IUPAC name of [1-[3-[2,3-bis[3-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)-2-hydroxypropoxy]propoxy]-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate (CID 20510591) is [1-[3-[2,3-bis[3-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)-2-hydroxypropoxy]propoxy]-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate.
What is the SMILES notation for [1-[3-[2,3-bis[3-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)-2-hydroxypropoxy]propoxy]-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate?
The canonical SMILES for [1-[3-[2,3-bis[3-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)-2-hydroxypropoxy]propoxy]-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate is CC1(C)CC(OC(=O)c2ccccc2)CC(C)(C)N1CC(O)COCC(COCC(O)CN1C(C)(C)CC(OC(=O)c2ccccc2)CC1(C)C)OCC(O)CN1C(C)(C)CC(OC(=O)c2ccccc2)CC1(C)C.
What is the InChIKey of [1-[3-[2,3-bis[3-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)-2-hydroxypropoxy]propoxy]-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate?
The InChIKey is JBRLXRWYJQLJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H89N3O12/c1-55(2)28-48(73-52(67)42-22-16-13-17-23-42)29-56(3,4)61(55)34-45(64)37-70-40-51(72-39-47(66)36-63-59(9,10)32-50(33-60(63,11)12)75-54(69)44-26-20-15-21-27-44)41-71-38-46(65)35-62-57(5,6)30-49(31-58(62,7)8)74-53(68)43-24-18-14-19-25-43/h13-27,45-51,64-66H,28-41H2,1-12H3.
What are the key properties of [1-[3-[2,3-bis[3-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)-2-hydroxypropoxy]propoxy]-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate?
[1-[3-[2,3-bis[3-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)-2-hydroxypropoxy]propoxy]-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate has a molecular weight of 1044.38 g/mol, XLogP of 8.12, 23 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[2,3-bis[3-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)-2-hydroxypropoxy]propoxy]-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate is sourced from PubChem (CID 20510591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).