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

C12H14BrNO — CID 82757768

IUPAC1-(2-bromo-5-methylphenyl)piperidin-2-one
SMILESCc1ccc(Br)c(N2CCCCC2=O)c1
InChIInChI=1S/C12H14BrNO/c1-9-5-6-10(13)11(8-9)14-7-3-2-4-12(14)15/h5-6,8H,2-4,7H2,1H3
InChIKeyTWERSVXGRQGJEL-UHFFFAOYSA-N
MW268.15 g/mol
LogP3.27
Rot. Bonds1

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

1-(2-bromo-5-methylphenyl)piperidin-2-one (PubChem CID 82757768) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is 1-(2-bromo-5-methylphenyl)piperidin-2-one.

Molecular Properties

Compound Name1-(2-bromo-5-methylphenyl)piperidin-2-one
PubChem CID82757768
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name1-(2-bromo-5-methylphenyl)piperidin-2-one
SMILESCc1ccc(Br)c(N2CCCCC2=O)c1
InChIInChI=1S/C12H14BrNO/c1-9-5-6-10(13)11(8-9)14-7-3-2-4-12(14)15/h5-6,8H,2-4,7H2,1H3
InChIKeyTWERSVXGRQGJEL-UHFFFAOYSA-N
XLogP3.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methylphenyl)piperidin-2-one?
The IUPAC name of 1-(2-bromo-5-methylphenyl)piperidin-2-one (CID 82757768) is 1-(2-bromo-5-methylphenyl)piperidin-2-one.
What is the SMILES notation for 1-(2-bromo-5-methylphenyl)piperidin-2-one?
The canonical SMILES for 1-(2-bromo-5-methylphenyl)piperidin-2-one is Cc1ccc(Br)c(N2CCCCC2=O)c1.
What is the InChIKey of 1-(2-bromo-5-methylphenyl)piperidin-2-one?
The InChIKey is TWERSVXGRQGJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO/c1-9-5-6-10(13)11(8-9)14-7-3-2-4-12(14)15/h5-6,8H,2-4,7H2,1H3.
What are the key properties of 1-(2-bromo-5-methylphenyl)piperidin-2-one?
1-(2-bromo-5-methylphenyl)piperidin-2-one has a molecular weight of 268.15 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methylphenyl)piperidin-2-one is sourced from PubChem (CID 82757768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).