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

C33H46N2O6 — CID 15170012

IUPAC[1-[(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxymethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate
SMILESCC1(C)CC(OC(=O)c2ccccc2)CC(C)(C)N1OCON1C(C)(C)CC(OC(=O)c2ccccc2)CC1(C)C
InChIInChI=1S/C33H46N2O6/c1-30(2)19-26(40-28(36)24-15-11-9-12-16-24)20-31(3,4)34(30)38-23-39-35-32(5,6)21-27(22-33(35,7)8)41-29(37)25-17-13-10-14-18-25/h9-18,26-27H,19-23H2,1-8H3
InChIKeyXLLGCGSYBIOMFD-UHFFFAOYSA-N
MW566.74 g/mol
LogP6.56
Rot. Bonds8

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

[1-[(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxymethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate (PubChem CID 15170012) has the molecular formula C33H46N2O6 and a molecular weight of 566.74 g/mol. Its IUPAC name is [1-[(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxymethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate.

Molecular Properties

Compound Name[1-[(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxymethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate
PubChem CID15170012
Molecular FormulaC33H46N2O6
Molecular Weight566.74 g/mol
Exact Mass566.34
IUPAC Name[1-[(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxymethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate
SMILESCC1(C)CC(OC(=O)c2ccccc2)CC(C)(C)N1OCON1C(C)(C)CC(OC(=O)c2ccccc2)CC1(C)C
InChIInChI=1S/C33H46N2O6/c1-30(2)19-26(40-28(36)24-15-11-9-12-16-24)20-31(3,4)34(30)38-23-39-35-32(5,6)21-27(22-33(35,7)8)41-29(37)25-17-13-10-14-18-25/h9-18,26-27H,19-23H2,1-8H3
InChIKeyXLLGCGSYBIOMFD-UHFFFAOYSA-N
XLogP6.56
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.74
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxymethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate?
The IUPAC name of [1-[(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxymethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate (CID 15170012) is [1-[(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxymethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate.
What is the SMILES notation for [1-[(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxymethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate?
The canonical SMILES for [1-[(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxymethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate is CC1(C)CC(OC(=O)c2ccccc2)CC(C)(C)N1OCON1C(C)(C)CC(OC(=O)c2ccccc2)CC1(C)C.
What is the InChIKey of [1-[(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxymethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate?
The InChIKey is XLLGCGSYBIOMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H46N2O6/c1-30(2)19-26(40-28(36)24-15-11-9-12-16-24)20-31(3,4)34(30)38-23-39-35-32(5,6)21-27(22-33(35,7)8)41-29(37)25-17-13-10-14-18-25/h9-18,26-27H,19-23H2,1-8H3.
What are the key properties of [1-[(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxymethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate?
[1-[(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxymethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate has a molecular weight of 566.74 g/mol, XLogP of 6.56, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxymethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate is sourced from PubChem (CID 15170012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).