1-(5-bromo-4-fluoro-2-methylphenyl)piperidin-2-one

C12H13BrFNO — CID 107592762

IUPAC1-(5-bromo-4-fluoro-2-methylphenyl)piperidin-2-one
SMILESCc1cc(F)c(Br)cc1N1CCCCC1=O
InChIInChI=1S/C12H13BrFNO/c1-8-6-10(14)9(13)7-11(8)15-5-3-2-4-12(15)16/h6-7H,2-5H2,1H3
InChIKeyFORAKTQUNWSLQD-UHFFFAOYSA-N
MW286.14 g/mol
LogP3.41
Rot. Bonds1

About 1-(5-bromo-4-fluoro-2-methylphenyl)piperidin-2-one

1-(5-bromo-4-fluoro-2-methylphenyl)piperidin-2-one (PubChem CID 107592762) has the molecular formula C12H13BrFNO and a molecular weight of 286.14 g/mol. Its IUPAC name is 1-(5-bromo-4-fluoro-2-methylphenyl)piperidin-2-one.

Molecular Properties

Compound Name1-(5-bromo-4-fluoro-2-methylphenyl)piperidin-2-one
PubChem CID107592762
Molecular FormulaC12H13BrFNO
Molecular Weight286.14 g/mol
Exact Mass285.02
IUPAC Name1-(5-bromo-4-fluoro-2-methylphenyl)piperidin-2-one
SMILESCc1cc(F)c(Br)cc1N1CCCCC1=O
InChIInChI=1S/C12H13BrFNO/c1-8-6-10(14)9(13)7-11(8)15-5-3-2-4-12(15)16/h6-7H,2-5H2,1H3
InChIKeyFORAKTQUNWSLQD-UHFFFAOYSA-N
XLogP3.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.14
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-bromo-4-fluoro-2-methylphenyl)-1,4-diazepane-2,5-dione
CID 107594341
1-(5-bromo-4-fluoro-2-methylphenyl)-1,3-diazinan-2-one
CID 107590497
1-(2-bromo-5-methylphenyl)piperidin-2-one
CID 82757768
1-(3-bromo-4-fluorophenyl)azepan-2-one
CID 104779696
1-(5-amino-2-bromo-4-methylphenyl)pyrrolidin-2-one
CID 104815334
1-(5-bromo-4-fluoro-2-methylphenyl)-3-(ethylamino)piperidin-2-one
CID 107594221
1-(4-amino-2-methylphenyl)piperidin-2-one;ethane
CID 142825432
8-(5-bromo-4-fluoro-2-methylphenyl)-8-azaspiro[4.5]decane-7,9-dione
CID 107592731
N'-(3-fluoro-4-methylphenyl)-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 30680066
1-(2-fluoro-4-methylphenyl)pyrrolidin-2-one
CID 58845272
1-[4-(bromomethyl)-2-fluorophenyl]piperidin-2-one
CID 169448638
1-bromo-N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]methanesulfonamide
CID 7636190

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-fluoro-2-methylphenyl)piperidin-2-one?
The IUPAC name of 1-(5-bromo-4-fluoro-2-methylphenyl)piperidin-2-one (CID 107592762) is 1-(5-bromo-4-fluoro-2-methylphenyl)piperidin-2-one.
What is the SMILES notation for 1-(5-bromo-4-fluoro-2-methylphenyl)piperidin-2-one?
The canonical SMILES for 1-(5-bromo-4-fluoro-2-methylphenyl)piperidin-2-one is Cc1cc(F)c(Br)cc1N1CCCCC1=O.
What is the InChIKey of 1-(5-bromo-4-fluoro-2-methylphenyl)piperidin-2-one?
The InChIKey is FORAKTQUNWSLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFNO/c1-8-6-10(14)9(13)7-11(8)15-5-3-2-4-12(15)16/h6-7H,2-5H2,1H3.
What are the key properties of 1-(5-bromo-4-fluoro-2-methylphenyl)piperidin-2-one?
1-(5-bromo-4-fluoro-2-methylphenyl)piperidin-2-one has a molecular weight of 286.14 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-fluoro-2-methylphenyl)piperidin-2-one is sourced from PubChem (CID 107592762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).