(2,2,6,6-tetramethylpiperidin-4-yl) 4-[(Z)-2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphenoxy]ethenoxy]benzoate

C34H46N2O6 — CID 118874362

IUPAC(2,2,6,6-tetramethylpiperidin-4-yl) 4-[(Z)-2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphenoxy]ethenoxy]benzoate
SMILESCC1(C)CC(OC(=O)c2ccc(O/C=C\Oc3ccc(C(=O)OC4CC(C)(C)NC(C)(C)C4)cc3)cc2)CC(C)(C)N1
InChIInChI=1S/C34H46N2O6/c1-31(2)19-27(20-32(3,4)35-31)41-29(37)23-9-13-25(14-10-23)39-17-18-40-26-15-11-24(12-16-26)30(38)42-28-21-33(5,6)36-34(7,8)22-28/h9-18,27-28,35-36H,19-22H2,1-8H3/b18-17-
InChIKeyOGNRFZSIDQFPLP-ZCXUNETKSA-N
MW578.75 g/mol
LogP6.55
Rot. Bonds8

About (2,2,6,6-tetramethylpiperidin-4-yl) 4-[(Z)-2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphenoxy]ethenoxy]benzoate

(2,2,6,6-tetramethylpiperidin-4-yl) 4-[(Z)-2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphenoxy]ethenoxy]benzoate (PubChem CID 118874362) has the molecular formula C34H46N2O6 and a molecular weight of 578.75 g/mol. Its IUPAC name is (2,2,6,6-tetramethylpiperidin-4-yl) 4-[(Z)-2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphenoxy]ethenoxy]benzoate.

Molecular Properties

Compound Name(2,2,6,6-tetramethylpiperidin-4-yl) 4-[(Z)-2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphenoxy]ethenoxy]benzoate
PubChem CID118874362
Molecular FormulaC34H46N2O6
Molecular Weight578.75 g/mol
Exact Mass578.34
IUPAC Name(2,2,6,6-tetramethylpiperidin-4-yl) 4-[(Z)-2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphenoxy]ethenoxy]benzoate
SMILESCC1(C)CC(OC(=O)c2ccc(O/C=C\Oc3ccc(C(=O)OC4CC(C)(C)NC(C)(C)C4)cc3)cc2)CC(C)(C)N1
InChIInChI=1S/C34H46N2O6/c1-31(2)19-27(20-32(3,4)35-31)41-29(37)23-9-13-25(14-10-23)39-17-18-40-26-15-11-24(12-16-26)30(38)42-28-21-33(5,6)36-34(7,8)22-28/h9-18,27-28,35-36H,19-22H2,1-8H3/b18-17-
InChIKeyOGNRFZSIDQFPLP-ZCXUNETKSA-N
XLogP6.55
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.75
LogP ≤ 56.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,2,6,6-tetramethylpiperidin-4-yl) 4-[(Z)-2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphenoxy]ethenoxy]benzoate?
The IUPAC name of (2,2,6,6-tetramethylpiperidin-4-yl) 4-[(Z)-2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphenoxy]ethenoxy]benzoate (CID 118874362) is (2,2,6,6-tetramethylpiperidin-4-yl) 4-[(Z)-2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphenoxy]ethenoxy]benzoate.
What is the SMILES notation for (2,2,6,6-tetramethylpiperidin-4-yl) 4-[(Z)-2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphenoxy]ethenoxy]benzoate?
The canonical SMILES for (2,2,6,6-tetramethylpiperidin-4-yl) 4-[(Z)-2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphenoxy]ethenoxy]benzoate is CC1(C)CC(OC(=O)c2ccc(O/C=C\Oc3ccc(C(=O)OC4CC(C)(C)NC(C)(C)C4)cc3)cc2)CC(C)(C)N1.
What is the InChIKey of (2,2,6,6-tetramethylpiperidin-4-yl) 4-[(Z)-2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphenoxy]ethenoxy]benzoate?
The InChIKey is OGNRFZSIDQFPLP-ZCXUNETKSA-N. The full InChI is InChI=1S/C34H46N2O6/c1-31(2)19-27(20-32(3,4)35-31)41-29(37)23-9-13-25(14-10-23)39-17-18-40-26-15-11-24(12-16-26)30(38)42-28-21-33(5,6)36-34(7,8)22-28/h9-18,27-28,35-36H,19-22H2,1-8H3/b18-17-.
What are the key properties of (2,2,6,6-tetramethylpiperidin-4-yl) 4-[(Z)-2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphenoxy]ethenoxy]benzoate?
(2,2,6,6-tetramethylpiperidin-4-yl) 4-[(Z)-2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphenoxy]ethenoxy]benzoate has a molecular weight of 578.75 g/mol, XLogP of 6.55, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,6,6-tetramethylpiperidin-4-yl) 4-[(Z)-2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphenoxy]ethenoxy]benzoate is sourced from PubChem (CID 118874362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).