[1-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxycarbonyloxy-2,2,6,6-tetramethylpiperidin-4-yl] benzoate

C33H44N2O7 — CID 67852784

IUPAC[1-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxycarbonyloxy-2,2,6,6-tetramethylpiperidin-4-yl] benzoate
SMILESCC1(C)CC(OC(=O)c2ccccc2)CC(C)(C)N1OC(=O)ON1C(C)(C)CC(OC(=O)c2ccccc2)CC1(C)C
InChIInChI=1S/C33H44N2O7/c1-30(2)19-25(39-27(36)23-15-11-9-12-16-23)20-31(3,4)34(30)41-29(38)42-35-32(5,6)21-26(22-33(35,7)8)40-28(37)24-17-13-10-14-18-24/h9-18,25-26H,19-22H2,1-8H3
InChIKeyPXGBVJQYSJCSMP-UHFFFAOYSA-N
MW580.72 g/mol
LogP6.73
Rot. Bonds6

About [1-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxycarbonyloxy-2,2,6,6-tetramethylpiperidin-4-yl] benzoate

[1-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxycarbonyloxy-2,2,6,6-tetramethylpiperidin-4-yl] benzoate (PubChem CID 67852784) has the molecular formula C33H44N2O7 and a molecular weight of 580.72 g/mol. Its IUPAC name is [1-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxycarbonyloxy-2,2,6,6-tetramethylpiperidin-4-yl] benzoate.

Molecular Properties

Compound Name[1-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxycarbonyloxy-2,2,6,6-tetramethylpiperidin-4-yl] benzoate
PubChem CID67852784
Molecular FormulaC33H44N2O7
Molecular Weight580.72 g/mol
Exact Mass580.31
IUPAC Name[1-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxycarbonyloxy-2,2,6,6-tetramethylpiperidin-4-yl] benzoate
SMILESCC1(C)CC(OC(=O)c2ccccc2)CC(C)(C)N1OC(=O)ON1C(C)(C)CC(OC(=O)c2ccccc2)CC1(C)C
InChIInChI=1S/C33H44N2O7/c1-30(2)19-25(39-27(36)23-15-11-9-12-16-23)20-31(3,4)34(30)41-29(38)42-35-32(5,6)21-26(22-33(35,7)8)40-28(37)24-17-13-10-14-18-24/h9-18,25-26H,19-22H2,1-8H3
InChIKeyPXGBVJQYSJCSMP-UHFFFAOYSA-N
XLogP6.73
TPSA94.61 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.72
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze [1-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxycarbonyloxy-2,2,6,6-tetramethylpiperidin-4-yl] benzoate with MolForge

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Related Compounds

[1-(2,2-dimethylpropanoyloxy)-2,2,6,6-tetramethylpiperidin-4-yl] benzoate
CID 22182242
[1-[7-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyheptoxy]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate
CID 57063329
(1-benzoyloxy-2,2,6,6-tetramethylpiperidin-4-yl) furan-2-carboxylate
CID 1272692
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
(4-hydroxy-4-methylcyclohexyl) benzoate
CID 13082683
(4-hydroxy-3,3,5-trimethylcyclohexyl) benzoate
CID 70364620
bis[1-[4-[1-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]ethyl] decanedioate
CID 20771162
(2-benzoyloxy-4-hydroxy-4-methylcyclopentyl) benzoate
CID 54070858
CID 140598437
CID 140598437
[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
(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl) 4-(chloromethyl)benzoate
CID 54381320
(1-benzoyl-2,2,6,6-tetramethylpiperidin-4-yl) propanoate
CID 139992173

Frequently Asked Questions

What is the IUPAC name of [1-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxycarbonyloxy-2,2,6,6-tetramethylpiperidin-4-yl] benzoate?
The IUPAC name of [1-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxycarbonyloxy-2,2,6,6-tetramethylpiperidin-4-yl] benzoate (CID 67852784) is [1-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxycarbonyloxy-2,2,6,6-tetramethylpiperidin-4-yl] benzoate.
What is the SMILES notation for [1-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxycarbonyloxy-2,2,6,6-tetramethylpiperidin-4-yl] benzoate?
The canonical SMILES for [1-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxycarbonyloxy-2,2,6,6-tetramethylpiperidin-4-yl] benzoate is CC1(C)CC(OC(=O)c2ccccc2)CC(C)(C)N1OC(=O)ON1C(C)(C)CC(OC(=O)c2ccccc2)CC1(C)C.
What is the InChIKey of [1-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxycarbonyloxy-2,2,6,6-tetramethylpiperidin-4-yl] benzoate?
The InChIKey is PXGBVJQYSJCSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H44N2O7/c1-30(2)19-25(39-27(36)23-15-11-9-12-16-23)20-31(3,4)34(30)41-29(38)42-35-32(5,6)21-26(22-33(35,7)8)40-28(37)24-17-13-10-14-18-24/h9-18,25-26H,19-22H2,1-8H3.
What are the key properties of [1-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxycarbonyloxy-2,2,6,6-tetramethylpiperidin-4-yl] benzoate?
[1-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxycarbonyloxy-2,2,6,6-tetramethylpiperidin-4-yl] benzoate has a molecular weight of 580.72 g/mol, XLogP of 6.73, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxycarbonyloxy-2,2,6,6-tetramethylpiperidin-4-yl] benzoate is sourced from PubChem (CID 67852784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).