1-(5-bromo-2-methylphenyl)piperidine-2,6-dione

C12H12BrNO2 — CID 43806726

IUPAC1-(5-bromo-2-methylphenyl)piperidine-2,6-dione
SMILESCc1ccc(Br)cc1N1C(=O)CCCC1=O
InChIInChI=1S/C12H12BrNO2/c1-8-5-6-9(13)7-10(8)14-11(15)3-2-4-12(14)16/h5-7H,2-4H2,1H3
InChIKeyIWNQHCVEEPAILN-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.80
Rot. Bonds1

About 1-(5-bromo-2-methylphenyl)piperidine-2,6-dione

1-(5-bromo-2-methylphenyl)piperidine-2,6-dione (PubChem CID 43806726) has the molecular formula C12H12BrNO2 and a molecular weight of 282.14 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)piperidine-2,6-dione.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)piperidine-2,6-dione
PubChem CID43806726
Molecular FormulaC12H12BrNO2
Molecular Weight282.14 g/mol
Exact Mass281.01
IUPAC Name1-(5-bromo-2-methylphenyl)piperidine-2,6-dione
SMILESCc1ccc(Br)cc1N1C(=O)CCCC1=O
InChIInChI=1S/C12H12BrNO2/c1-8-5-6-9(13)7-10(8)14-11(15)3-2-4-12(14)16/h5-7H,2-4H2,1H3
InChIKeyIWNQHCVEEPAILN-UHFFFAOYSA-N
XLogP2.80
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenyl)piperidine-2,6-dione?
The IUPAC name of 1-(5-bromo-2-methylphenyl)piperidine-2,6-dione (CID 43806726) is 1-(5-bromo-2-methylphenyl)piperidine-2,6-dione.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)piperidine-2,6-dione?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)piperidine-2,6-dione is Cc1ccc(Br)cc1N1C(=O)CCCC1=O.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)piperidine-2,6-dione?
The InChIKey is IWNQHCVEEPAILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO2/c1-8-5-6-9(13)7-10(8)14-11(15)3-2-4-12(14)16/h5-7H,2-4H2,1H3.
What are the key properties of 1-(5-bromo-2-methylphenyl)piperidine-2,6-dione?
1-(5-bromo-2-methylphenyl)piperidine-2,6-dione has a molecular weight of 282.14 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylphenyl)piperidine-2,6-dione is sourced from PubChem (CID 43806726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).