[2-(4-ethenylphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] benzoate

C26H33NO3 — CID 11246795

IUPAC[2-(4-ethenylphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] benzoate
SMILESC=Cc1ccc(C(COC(=O)c2ccccc2)ON2C(C)(C)CCCC2(C)C)cc1
InChIInChI=1S/C26H33NO3/c1-6-20-13-15-21(16-14-20)23(19-29-24(28)22-11-8-7-9-12-22)30-27-25(2,3)17-10-18-26(27,4)5/h6-9,11-16,23H,1,10,17-19H2,2-5H3
InChIKeyFAABMEXRJFWUIO-UHFFFAOYSA-N
MW407.55 g/mol
LogP6.20
Rot. Bonds7

About [2-(4-ethenylphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] benzoate

[2-(4-ethenylphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] benzoate (PubChem CID 11246795) has the molecular formula C26H33NO3 and a molecular weight of 407.55 g/mol. Its IUPAC name is [2-(4-ethenylphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] benzoate.

Molecular Properties

Compound Name[2-(4-ethenylphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] benzoate
PubChem CID11246795
Molecular FormulaC26H33NO3
Molecular Weight407.55 g/mol
Exact Mass407.25
IUPAC Name[2-(4-ethenylphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] benzoate
SMILESC=Cc1ccc(C(COC(=O)c2ccccc2)ON2C(C)(C)CCCC2(C)C)cc1
InChIInChI=1S/C26H33NO3/c1-6-20-13-15-21(16-14-20)23(19-29-24(28)22-11-8-7-9-12-22)30-27-25(2,3)17-10-18-26(27,4)5/h6-9,11-16,23H,1,10,17-19H2,2-5H3
InChIKeyFAABMEXRJFWUIO-UHFFFAOYSA-N
XLogP6.20
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.55
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-ethenylphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] benzoate?
The IUPAC name of [2-(4-ethenylphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] benzoate (CID 11246795) is [2-(4-ethenylphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] benzoate.
What is the SMILES notation for [2-(4-ethenylphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] benzoate?
The canonical SMILES for [2-(4-ethenylphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] benzoate is C=Cc1ccc(C(COC(=O)c2ccccc2)ON2C(C)(C)CCCC2(C)C)cc1.
What is the InChIKey of [2-(4-ethenylphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] benzoate?
The InChIKey is FAABMEXRJFWUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33NO3/c1-6-20-13-15-21(16-14-20)23(19-29-24(28)22-11-8-7-9-12-22)30-27-25(2,3)17-10-18-26(27,4)5/h6-9,11-16,23H,1,10,17-19H2,2-5H3.
What are the key properties of [2-(4-ethenylphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] benzoate?
[2-(4-ethenylphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] benzoate has a molecular weight of 407.55 g/mol, XLogP of 6.20, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethenylphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] benzoate is sourced from PubChem (CID 11246795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).