1-(2-amino-4-bromophenyl)-4,4-dimethylpiperidine-2,6-dione

C13H15BrN2O2 — CID 62931389

IUPAC1-(2-amino-4-bromophenyl)-4,4-dimethylpiperidine-2,6-dione
SMILESCC1(C)CC(=O)N(c2ccc(Br)cc2N)C(=O)C1
InChIInChI=1S/C13H15BrN2O2/c1-13(2)6-11(17)16(12(18)7-13)10-4-3-8(14)5-9(10)15/h3-5H,6-7,15H2,1-2H3
InChIKeyWXODSJFFBDCAIY-UHFFFAOYSA-N
MW311.18 g/mol
LogP2.71
Rot. Bonds1

About 1-(2-amino-4-bromophenyl)-4,4-dimethylpiperidine-2,6-dione

1-(2-amino-4-bromophenyl)-4,4-dimethylpiperidine-2,6-dione (PubChem CID 62931389) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is 1-(2-amino-4-bromophenyl)-4,4-dimethylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-(2-amino-4-bromophenyl)-4,4-dimethylpiperidine-2,6-dione
PubChem CID62931389
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Name1-(2-amino-4-bromophenyl)-4,4-dimethylpiperidine-2,6-dione
SMILESCC1(C)CC(=O)N(c2ccc(Br)cc2N)C(=O)C1
InChIInChI=1S/C13H15BrN2O2/c1-13(2)6-11(17)16(12(18)7-13)10-4-3-8(14)5-9(10)15/h3-5H,6-7,15H2,1-2H3
InChIKeyWXODSJFFBDCAIY-UHFFFAOYSA-N
XLogP2.71
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-bromophenyl)-4,4-dimethylpiperidine-2,6-dione?
The IUPAC name of 1-(2-amino-4-bromophenyl)-4,4-dimethylpiperidine-2,6-dione (CID 62931389) is 1-(2-amino-4-bromophenyl)-4,4-dimethylpiperidine-2,6-dione.
What is the SMILES notation for 1-(2-amino-4-bromophenyl)-4,4-dimethylpiperidine-2,6-dione?
The canonical SMILES for 1-(2-amino-4-bromophenyl)-4,4-dimethylpiperidine-2,6-dione is CC1(C)CC(=O)N(c2ccc(Br)cc2N)C(=O)C1.
What is the InChIKey of 1-(2-amino-4-bromophenyl)-4,4-dimethylpiperidine-2,6-dione?
The InChIKey is WXODSJFFBDCAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c1-13(2)6-11(17)16(12(18)7-13)10-4-3-8(14)5-9(10)15/h3-5H,6-7,15H2,1-2H3.
What are the key properties of 1-(2-amino-4-bromophenyl)-4,4-dimethylpiperidine-2,6-dione?
1-(2-amino-4-bromophenyl)-4,4-dimethylpiperidine-2,6-dione has a molecular weight of 311.18 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-bromophenyl)-4,4-dimethylpiperidine-2,6-dione is sourced from PubChem (CID 62931389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).