2-(4-fluoro-2-methylphenyl)-1-(4-methoxypiperidin-1-yl)ethanone

C15H20FNO2 — CID 91772484

IUPAC2-(4-fluoro-2-methylphenyl)-1-(4-methoxypiperidin-1-yl)ethanone
SMILESCOC1CCN(C(=O)Cc2ccc(F)cc2C)CC1
InChIInChI=1S/C15H20FNO2/c1-11-9-13(16)4-3-12(11)10-15(18)17-7-5-14(19-2)6-8-17/h3-4,9,14H,5-8,10H2,1-2H3
InChIKeyLSPCINOHYKGFQC-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.31
Rot. Bonds3

About 2-(4-fluoro-2-methylphenyl)-1-(4-methoxypiperidin-1-yl)ethanone

2-(4-fluoro-2-methylphenyl)-1-(4-methoxypiperidin-1-yl)ethanone (PubChem CID 91772484) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenyl)-1-(4-methoxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenyl)-1-(4-methoxypiperidin-1-yl)ethanone
PubChem CID91772484
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name2-(4-fluoro-2-methylphenyl)-1-(4-methoxypiperidin-1-yl)ethanone
SMILESCOC1CCN(C(=O)Cc2ccc(F)cc2C)CC1
InChIInChI=1S/C15H20FNO2/c1-11-9-13(16)4-3-12(11)10-15(18)17-7-5-14(19-2)6-8-17/h3-4,9,14H,5-8,10H2,1-2H3
InChIKeyLSPCINOHYKGFQC-UHFFFAOYSA-N
XLogP2.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenyl)-1-(4-methoxypiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-fluoro-2-methylphenyl)-1-(4-methoxypiperidin-1-yl)ethanone (CID 91772484) is 2-(4-fluoro-2-methylphenyl)-1-(4-methoxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-fluoro-2-methylphenyl)-1-(4-methoxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-fluoro-2-methylphenyl)-1-(4-methoxypiperidin-1-yl)ethanone is COC1CCN(C(=O)Cc2ccc(F)cc2C)CC1.
What is the InChIKey of 2-(4-fluoro-2-methylphenyl)-1-(4-methoxypiperidin-1-yl)ethanone?
The InChIKey is LSPCINOHYKGFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-11-9-13(16)4-3-12(11)10-15(18)17-7-5-14(19-2)6-8-17/h3-4,9,14H,5-8,10H2,1-2H3.
What are the key properties of 2-(4-fluoro-2-methylphenyl)-1-(4-methoxypiperidin-1-yl)ethanone?
2-(4-fluoro-2-methylphenyl)-1-(4-methoxypiperidin-1-yl)ethanone has a molecular weight of 265.33 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenyl)-1-(4-methoxypiperidin-1-yl)ethanone is sourced from PubChem (CID 91772484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).