1-(4-bromo-3,5-dimethylphenyl)piperidine-2,6-dione

C13H14BrNO2 — CID 107575196

IUPAC1-(4-bromo-3,5-dimethylphenyl)piperidine-2,6-dione
SMILESCc1cc(N2C(=O)CCCC2=O)cc(C)c1Br
InChIInChI=1S/C13H14BrNO2/c1-8-6-10(7-9(2)13(8)14)15-11(16)4-3-5-12(15)17/h6-7H,3-5H2,1-2H3
InChIKeyJXQWZDIFPJYPPA-UHFFFAOYSA-N
MW296.16 g/mol
LogP3.11
Rot. Bonds1

About 1-(4-bromo-3,5-dimethylphenyl)piperidine-2,6-dione

1-(4-bromo-3,5-dimethylphenyl)piperidine-2,6-dione (PubChem CID 107575196) has the molecular formula C13H14BrNO2 and a molecular weight of 296.16 g/mol. Its IUPAC name is 1-(4-bromo-3,5-dimethylphenyl)piperidine-2,6-dione.

Molecular Properties

Compound Name1-(4-bromo-3,5-dimethylphenyl)piperidine-2,6-dione
PubChem CID107575196
Molecular FormulaC13H14BrNO2
Molecular Weight296.16 g/mol
Exact Mass295.02
IUPAC Name1-(4-bromo-3,5-dimethylphenyl)piperidine-2,6-dione
SMILESCc1cc(N2C(=O)CCCC2=O)cc(C)c1Br
InChIInChI=1S/C13H14BrNO2/c1-8-6-10(7-9(2)13(8)14)15-11(16)4-3-5-12(15)17/h6-7H,3-5H2,1-2H3
InChIKeyJXQWZDIFPJYPPA-UHFFFAOYSA-N
XLogP3.11
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-Bromophenyl)-4-methylpiperidine-2,6-dione
CID 2732331
2-(4-Bromo-3,5-dimethylphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 2930697
8-(4-Bromo-3-methylphenyl)-8-azaspiro[4.5]decane-7,9-dione
CID 2826328
n-(4-Bromo-3-methylphenyl)propanamide
CID 802529
N-(4-bromo-3,5-dimethylphenyl)acetamide
CID 4246250
Glutarimide, N-(3-methylphenyl)-
CID 82076714
N-(4-bromo-3-methylphenyl)butanamide
CID 801490
N-(4'-bromophenyl)-3-(trifluoromethyl)glutarimide
CID 19047174
1-(4-Bromo-3-methylphenyl)-3-(fluoromethyl)pyrrolidine-2,5-dione
CID 20033525
8-(4-Bromophenyl)-8-azaspiro[4.5]decane-7,9-dione
CID 1552647
1-(4-Bromo-3-methylphenyl)pyrrolidine-2,5-dione
CID 670630
N-(4-bromo-3,5-dimethylphenyl)-2-cyanoacetamide
CID 106511105

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3,5-dimethylphenyl)piperidine-2,6-dione?
The IUPAC name of 1-(4-bromo-3,5-dimethylphenyl)piperidine-2,6-dione (CID 107575196) is 1-(4-bromo-3,5-dimethylphenyl)piperidine-2,6-dione.
What is the SMILES notation for 1-(4-bromo-3,5-dimethylphenyl)piperidine-2,6-dione?
The canonical SMILES for 1-(4-bromo-3,5-dimethylphenyl)piperidine-2,6-dione is Cc1cc(N2C(=O)CCCC2=O)cc(C)c1Br.
What is the InChIKey of 1-(4-bromo-3,5-dimethylphenyl)piperidine-2,6-dione?
The InChIKey is JXQWZDIFPJYPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO2/c1-8-6-10(7-9(2)13(8)14)15-11(16)4-3-5-12(15)17/h6-7H,3-5H2,1-2H3.
What are the key properties of 1-(4-bromo-3,5-dimethylphenyl)piperidine-2,6-dione?
1-(4-bromo-3,5-dimethylphenyl)piperidine-2,6-dione has a molecular weight of 296.16 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3,5-dimethylphenyl)piperidine-2,6-dione is sourced from PubChem (CID 107575196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).