1-(3-fluoro-2-iodophenyl)-2,3-dimethylpiperidin-4-one

C13H15FINO — CID 114260475

IUPAC1-(3-fluoro-2-iodophenyl)-2,3-dimethylpiperidin-4-one
SMILESCC1C(=O)CCN(c2cccc(F)c2I)C1C
InChIInChI=1S/C13H15FINO/c1-8-9(2)16(7-6-12(8)17)11-5-3-4-10(14)13(11)15/h3-5,8-9H,6-7H2,1-2H3
InChIKeyHVJRJJKMEPJOHH-UHFFFAOYSA-N
MW347.17 g/mol
LogP3.23
Rot. Bonds1

About 1-(3-fluoro-2-iodophenyl)-2,3-dimethylpiperidin-4-one

1-(3-fluoro-2-iodophenyl)-2,3-dimethylpiperidin-4-one (PubChem CID 114260475) has the molecular formula C13H15FINO and a molecular weight of 347.17 g/mol. Its IUPAC name is 1-(3-fluoro-2-iodophenyl)-2,3-dimethylpiperidin-4-one.

Molecular Properties

Compound Name1-(3-fluoro-2-iodophenyl)-2,3-dimethylpiperidin-4-one
PubChem CID114260475
Molecular FormulaC13H15FINO
Molecular Weight347.17 g/mol
Exact Mass347.02
IUPAC Name1-(3-fluoro-2-iodophenyl)-2,3-dimethylpiperidin-4-one
SMILESCC1C(=O)CCN(c2cccc(F)c2I)C1C
InChIInChI=1S/C13H15FINO/c1-8-9(2)16(7-6-12(8)17)11-5-3-4-10(14)13(11)15/h3-5,8-9H,6-7H2,1-2H3
InChIKeyHVJRJJKMEPJOHH-UHFFFAOYSA-N
XLogP3.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.17
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromo-2-fluorophenyl)-2,3-dimethylpiperidin-4-one
CID 79397440
2,3-dimethyl-1-(2-phenylphenyl)piperidin-4-one
CID 79397807
1-[2-(dimethylamino)phenyl]-2,3-dimethylpiperidin-4-one
CID 106760038
1-[2-(methoxymethyl)phenyl]-2,3-dimethylpiperidin-4-one
CID 79406250
3-(3-fluoro-2-iodophenyl)-3-azabicyclo[3.2.1]octane-2,4-dione
CID 114259643
1-(3,5-dimethylphenyl)-2,3-dimethylpiperidin-4-one
CID 79397286
2-(3-fluoro-2-iodophenyl)isoindole-1,3-dione
CID 114259645
1-[(3-fluorophenyl)methyl]-2,3-dimethylpiperidin-4-one
CID 79398659
2-fluoro-6-(3-methyl-4-oxopiperidin-1-yl)benzonitrile
CID 133497507
1-[(2,5-difluorophenyl)methyl]-2,3-dimethylpiperidin-4-one
CID 79407297
2-[2-(2,3-dimethylthiomorpholin-4-yl)-6-fluorophenyl]ethanamine
CID 114066084
1-benzyl-2,3-dimethylpiperidin-4-one;hydrochloride
CID 53444394

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-iodophenyl)-2,3-dimethylpiperidin-4-one?
The IUPAC name of 1-(3-fluoro-2-iodophenyl)-2,3-dimethylpiperidin-4-one (CID 114260475) is 1-(3-fluoro-2-iodophenyl)-2,3-dimethylpiperidin-4-one.
What is the SMILES notation for 1-(3-fluoro-2-iodophenyl)-2,3-dimethylpiperidin-4-one?
The canonical SMILES for 1-(3-fluoro-2-iodophenyl)-2,3-dimethylpiperidin-4-one is CC1C(=O)CCN(c2cccc(F)c2I)C1C.
What is the InChIKey of 1-(3-fluoro-2-iodophenyl)-2,3-dimethylpiperidin-4-one?
The InChIKey is HVJRJJKMEPJOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FINO/c1-8-9(2)16(7-6-12(8)17)11-5-3-4-10(14)13(11)15/h3-5,8-9H,6-7H2,1-2H3.
What are the key properties of 1-(3-fluoro-2-iodophenyl)-2,3-dimethylpiperidin-4-one?
1-(3-fluoro-2-iodophenyl)-2,3-dimethylpiperidin-4-one has a molecular weight of 347.17 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-iodophenyl)-2,3-dimethylpiperidin-4-one is sourced from PubChem (CID 114260475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).