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

C35H50N2O6 — CID 15170019

IUPAC[1-[2-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-2-yloxy]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate
SMILESCC(C)(ON1C(C)(C)CC(OC(=O)c2ccccc2)CC1(C)C)ON1C(C)(C)CC(OC(=O)c2ccccc2)CC1(C)C
InChIInChI=1S/C35H50N2O6/c1-31(2)21-27(40-29(38)25-17-13-11-14-18-25)22-32(3,4)36(31)42-35(9,10)43-37-33(5,6)23-28(24-34(37,7)8)41-30(39)26-19-15-12-16-20-26/h11-20,27-28H,21-24H2,1-10H3
InChIKeyDZTIAFASSPQSDM-UHFFFAOYSA-N
MW594.79 g/mol
LogP7.34
Rot. Bonds8

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

[1-[2-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-2-yloxy]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate (PubChem CID 15170019) has the molecular formula C35H50N2O6 and a molecular weight of 594.79 g/mol. Its IUPAC name is [1-[2-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-2-yloxy]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate.

Molecular Properties

Compound Name[1-[2-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-2-yloxy]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate
PubChem CID15170019
Molecular FormulaC35H50N2O6
Molecular Weight594.79 g/mol
Exact Mass594.37
IUPAC Name[1-[2-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-2-yloxy]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate
SMILESCC(C)(ON1C(C)(C)CC(OC(=O)c2ccccc2)CC1(C)C)ON1C(C)(C)CC(OC(=O)c2ccccc2)CC1(C)C
InChIInChI=1S/C35H50N2O6/c1-31(2)21-27(40-29(38)25-17-13-11-14-18-25)22-32(3,4)36(31)42-35(9,10)43-37-33(5,6)23-28(24-34(37,7)8)41-30(39)26-19-15-12-16-20-26/h11-20,27-28H,21-24H2,1-10H3
InChIKeyDZTIAFASSPQSDM-UHFFFAOYSA-N
XLogP7.34
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.79
LogP ≤ 57.34
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-[2-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-2-yloxy]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate?
The IUPAC name of [1-[2-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-2-yloxy]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate (CID 15170019) is [1-[2-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-2-yloxy]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate.
What is the SMILES notation for [1-[2-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-2-yloxy]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate?
The canonical SMILES for [1-[2-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-2-yloxy]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate is CC(C)(ON1C(C)(C)CC(OC(=O)c2ccccc2)CC1(C)C)ON1C(C)(C)CC(OC(=O)c2ccccc2)CC1(C)C.
What is the InChIKey of [1-[2-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-2-yloxy]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate?
The InChIKey is DZTIAFASSPQSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H50N2O6/c1-31(2)21-27(40-29(38)25-17-13-11-14-18-25)22-32(3,4)36(31)42-35(9,10)43-37-33(5,6)23-28(24-34(37,7)8)41-30(39)26-19-15-12-16-20-26/h11-20,27-28H,21-24H2,1-10H3.
What are the key properties of [1-[2-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-2-yloxy]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate?
[1-[2-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-2-yloxy]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate has a molecular weight of 594.79 g/mol, XLogP of 7.34, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-2-yloxy]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate is sourced from PubChem (CID 15170019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).