1-(4-fluoro-3-methylphenyl)-2-(3-methylpiperidin-1-yl)ethanone

C15H20FNO — CID 82050236

IUPAC1-(4-fluoro-3-methylphenyl)-2-(3-methylpiperidin-1-yl)ethanone
SMILESCc1cc(C(=O)CN2CCCC(C)C2)ccc1F
InChIInChI=1S/C15H20FNO/c1-11-4-3-7-17(9-11)10-15(18)13-5-6-14(16)12(2)8-13/h5-6,8,11H,3-4,7,9-10H2,1-2H3
InChIKeyPQQHDHMNJUPAFB-UHFFFAOYSA-N
MW249.33 g/mol
LogP3.05
Rot. Bonds3

About 1-(4-fluoro-3-methylphenyl)-2-(3-methylpiperidin-1-yl)ethanone

1-(4-fluoro-3-methylphenyl)-2-(3-methylpiperidin-1-yl)ethanone (PubChem CID 82050236) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-2-(3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-2-(3-methylpiperidin-1-yl)ethanone
PubChem CID82050236
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name1-(4-fluoro-3-methylphenyl)-2-(3-methylpiperidin-1-yl)ethanone
SMILESCc1cc(C(=O)CN2CCCC(C)C2)ccc1F
InChIInChI=1S/C15H20FNO/c1-11-4-3-7-17(9-11)10-15(18)13-5-6-14(16)12(2)8-13/h5-6,8,11H,3-4,7,9-10H2,1-2H3
InChIKeyPQQHDHMNJUPAFB-UHFFFAOYSA-N
XLogP3.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylphenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 5043058
1-(3,4-dihydroxyphenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 43219441
1-(2,4-dimethylphenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 43219443
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(4-fluoro-3-methylphenyl)ethanone
CID 110366432
2-(3-methylpiperidin-1-yl)-1-(4-phenylphenyl)ethanone
CID 82051048
1-(2-fluorophenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 4042984
1-(2,3-dihydro-1H-indol-5-yl)-2-(3-methylpiperidin-1-yl)ethanone
CID 82102438
2-(3-methylpiperidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone
CID 43227667
1-(4-fluoro-3-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one
CID 82050231
1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(3-methylpiperidin-1-yl)ethanone
CID 82260944
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-1-(3,4-dimethylphenyl)ethanone
CID 63150899
1-[4-[2-(4-fluoro-3-methylphenyl)-2-oxoethyl]piperazin-1-yl]butan-1-one
CID 110366424

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-2-(3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-2-(3-methylpiperidin-1-yl)ethanone (CID 82050236) is 1-(4-fluoro-3-methylphenyl)-2-(3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-2-(3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-2-(3-methylpiperidin-1-yl)ethanone is Cc1cc(C(=O)CN2CCCC(C)C2)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-2-(3-methylpiperidin-1-yl)ethanone?
The InChIKey is PQQHDHMNJUPAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c1-11-4-3-7-17(9-11)10-15(18)13-5-6-14(16)12(2)8-13/h5-6,8,11H,3-4,7,9-10H2,1-2H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-2-(3-methylpiperidin-1-yl)ethanone?
1-(4-fluoro-3-methylphenyl)-2-(3-methylpiperidin-1-yl)ethanone has a molecular weight of 249.33 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-2-(3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 82050236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).