2-(4-ethenyl-2-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone

C17H23NO2 — CID 176516272

IUPAC2-(4-ethenyl-2-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
SMILESC=Cc1ccc(CC(=O)N2CCC(C)CC2)c(OC)c1
InChIInChI=1S/C17H23NO2/c1-4-14-5-6-15(16(11-14)20-3)12-17(19)18-9-7-13(2)8-10-18/h4-6,11,13H,1,7-10,12H2,2-3H3
InChIKeyURPLWRXUTMQBBI-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.14
Rot. Bonds4

About 2-(4-ethenyl-2-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone

2-(4-ethenyl-2-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 176516272) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(4-ethenyl-2-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-ethenyl-2-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID176516272
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name2-(4-ethenyl-2-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
SMILESC=Cc1ccc(CC(=O)N2CCC(C)CC2)c(OC)c1
InChIInChI=1S/C17H23NO2/c1-4-14-5-6-15(16(11-14)20-3)12-17(19)18-9-7-13(2)8-10-18/h4-6,11,13H,1,7-10,12H2,2-3H3
InChIKeyURPLWRXUTMQBBI-UHFFFAOYSA-N
XLogP3.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethenyl-2-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-ethenyl-2-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone (CID 176516272) is 2-(4-ethenyl-2-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-ethenyl-2-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-ethenyl-2-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone is C=Cc1ccc(CC(=O)N2CCC(C)CC2)c(OC)c1.
What is the InChIKey of 2-(4-ethenyl-2-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is URPLWRXUTMQBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-4-14-5-6-15(16(11-14)20-3)12-17(19)18-9-7-13(2)8-10-18/h4-6,11,13H,1,7-10,12H2,2-3H3.
What are the key properties of 2-(4-ethenyl-2-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone?
2-(4-ethenyl-2-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 273.38 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethenyl-2-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 176516272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).