2-(4-methoxyphenyl)-1-(3-methylpiperidin-1-yl)ethanone

C15H21NO2 — CID 2842800

IUPAC2-(4-methoxyphenyl)-1-(3-methylpiperidin-1-yl)ethanone
SMILESCOc1ccc(CC(=O)N2CCCC(C)C2)cc1
InChIInChI=1S/C15H21NO2/c1-12-4-3-9-16(11-12)15(17)10-13-5-7-14(18-2)8-6-13/h5-8,12H,3-4,9-11H2,1-2H3
InChIKeyMMGYTUWHYJZNRZ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.50
Rot. Bonds3

About 2-(4-methoxyphenyl)-1-(3-methylpiperidin-1-yl)ethanone

2-(4-methoxyphenyl)-1-(3-methylpiperidin-1-yl)ethanone (PubChem CID 2842800) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-(3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-(3-methylpiperidin-1-yl)ethanone
PubChem CID2842800
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-(4-methoxyphenyl)-1-(3-methylpiperidin-1-yl)ethanone
SMILESCOc1ccc(CC(=O)N2CCCC(C)C2)cc1
InChIInChI=1S/C15H21NO2/c1-12-4-3-9-16(11-12)15(17)10-13-5-7-14(18-2)8-6-13/h5-8,12H,3-4,9-11H2,1-2H3
InChIKeyMMGYTUWHYJZNRZ-UHFFFAOYSA-N
XLogP2.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-(3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-methoxyphenyl)-1-(3-methylpiperidin-1-yl)ethanone (CID 2842800) is 2-(4-methoxyphenyl)-1-(3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-(3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-methoxyphenyl)-1-(3-methylpiperidin-1-yl)ethanone is COc1ccc(CC(=O)N2CCCC(C)C2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-(3-methylpiperidin-1-yl)ethanone?
The InChIKey is MMGYTUWHYJZNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12-4-3-9-16(11-12)15(17)10-13-5-7-14(18-2)8-6-13/h5-8,12H,3-4,9-11H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-1-(3-methylpiperidin-1-yl)ethanone?
2-(4-methoxyphenyl)-1-(3-methylpiperidin-1-yl)ethanone has a molecular weight of 247.34 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-(3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 2842800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).