[1-[1-(4-ethenylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] acetate

C25H39NO4 — CID 139879930

IUPAC[1-[1-(4-ethenylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] acetate
SMILESC=Cc1ccc(C(COC(C)(C)C)ON2C(C)(C)CC(OC(C)=O)CC2(C)C)cc1
InChIInChI=1S/C25H39NO4/c1-10-19-11-13-20(14-12-19)22(17-28-23(3,4)5)30-26-24(6,7)15-21(29-18(2)27)16-25(26,8)9/h10-14,21-22H,1,15-17H2,2-9H3
InChIKeyTWLFHOYKNMSWMG-UHFFFAOYSA-N
MW417.59 g/mol
LogP5.70
Rot. Bonds7

About [1-[1-(4-ethenylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] acetate

[1-[1-(4-ethenylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] acetate (PubChem CID 139879930) has the molecular formula C25H39NO4 and a molecular weight of 417.59 g/mol. Its IUPAC name is [1-[1-(4-ethenylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] acetate.

Molecular Properties

Compound Name[1-[1-(4-ethenylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] acetate
PubChem CID139879930
Molecular FormulaC25H39NO4
Molecular Weight417.59 g/mol
Exact Mass417.29
IUPAC Name[1-[1-(4-ethenylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] acetate
SMILESC=Cc1ccc(C(COC(C)(C)C)ON2C(C)(C)CC(OC(C)=O)CC2(C)C)cc1
InChIInChI=1S/C25H39NO4/c1-10-19-11-13-20(14-12-19)22(17-28-23(3,4)5)30-26-24(6,7)15-21(29-18(2)27)16-25(26,8)9/h10-14,21-22H,1,15-17H2,2-9H3
InChIKeyTWLFHOYKNMSWMG-UHFFFAOYSA-N
XLogP5.70
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.59
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[1-(4-ethenylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] acetate?
The IUPAC name of [1-[1-(4-ethenylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] acetate (CID 139879930) is [1-[1-(4-ethenylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] acetate.
What is the SMILES notation for [1-[1-(4-ethenylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] acetate?
The canonical SMILES for [1-[1-(4-ethenylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] acetate is C=Cc1ccc(C(COC(C)(C)C)ON2C(C)(C)CC(OC(C)=O)CC2(C)C)cc1.
What is the InChIKey of [1-[1-(4-ethenylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] acetate?
The InChIKey is TWLFHOYKNMSWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39NO4/c1-10-19-11-13-20(14-12-19)22(17-28-23(3,4)5)30-26-24(6,7)15-21(29-18(2)27)16-25(26,8)9/h10-14,21-22H,1,15-17H2,2-9H3.
What are the key properties of [1-[1-(4-ethenylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] acetate?
[1-[1-(4-ethenylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] acetate has a molecular weight of 417.59 g/mol, XLogP of 5.70, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(4-ethenylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] acetate is sourced from PubChem (CID 139879930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).