[(E)-3-(2-methyl-6-piperidin-1-ylphenyl)prop-2-enyl] acetate

C17H23NO2 — CID 155675815

IUPAC[(E)-3-(2-methyl-6-piperidin-1-ylphenyl)prop-2-enyl] acetate
SMILESCC(=O)OC/C=C/c1c(C)cccc1N1CCCCC1
InChIInChI=1S/C17H23NO2/c1-14-8-6-10-17(18-11-4-3-5-12-18)16(14)9-7-13-20-15(2)19/h6-10H,3-5,11-13H2,1-2H3/b9-7+
InChIKeyUUNORSAJWVGSSD-VQHVLOKHSA-N
MW273.38 g/mol
LogP3.56
Rot. Bonds4

About [(E)-3-(2-methyl-6-piperidin-1-ylphenyl)prop-2-enyl] acetate

[(E)-3-(2-methyl-6-piperidin-1-ylphenyl)prop-2-enyl] acetate (PubChem CID 155675815) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is [(E)-3-(2-methyl-6-piperidin-1-ylphenyl)prop-2-enyl] acetate.

Molecular Properties

Compound Name[(E)-3-(2-methyl-6-piperidin-1-ylphenyl)prop-2-enyl] acetate
PubChem CID155675815
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name[(E)-3-(2-methyl-6-piperidin-1-ylphenyl)prop-2-enyl] acetate
SMILESCC(=O)OC/C=C/c1c(C)cccc1N1CCCCC1
InChIInChI=1S/C17H23NO2/c1-14-8-6-10-17(18-11-4-3-5-12-18)16(14)9-7-13-20-15(2)19/h6-10H,3-5,11-13H2,1-2H3/b9-7+
InChIKeyUUNORSAJWVGSSD-VQHVLOKHSA-N
XLogP3.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-(2-methyl-6-piperidin-1-ylphenyl)prop-2-enyl] acetate?
The IUPAC name of [(E)-3-(2-methyl-6-piperidin-1-ylphenyl)prop-2-enyl] acetate (CID 155675815) is [(E)-3-(2-methyl-6-piperidin-1-ylphenyl)prop-2-enyl] acetate.
What is the SMILES notation for [(E)-3-(2-methyl-6-piperidin-1-ylphenyl)prop-2-enyl] acetate?
The canonical SMILES for [(E)-3-(2-methyl-6-piperidin-1-ylphenyl)prop-2-enyl] acetate is CC(=O)OC/C=C/c1c(C)cccc1N1CCCCC1.
What is the InChIKey of [(E)-3-(2-methyl-6-piperidin-1-ylphenyl)prop-2-enyl] acetate?
The InChIKey is UUNORSAJWVGSSD-VQHVLOKHSA-N. The full InChI is InChI=1S/C17H23NO2/c1-14-8-6-10-17(18-11-4-3-5-12-18)16(14)9-7-13-20-15(2)19/h6-10H,3-5,11-13H2,1-2H3/b9-7+.
What are the key properties of [(E)-3-(2-methyl-6-piperidin-1-ylphenyl)prop-2-enyl] acetate?
[(E)-3-(2-methyl-6-piperidin-1-ylphenyl)prop-2-enyl] acetate has a molecular weight of 273.38 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(2-methyl-6-piperidin-1-ylphenyl)prop-2-enyl] acetate is sourced from PubChem (CID 155675815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).