1-[(2-amino-6-bromophenyl)methyl]-4-methylpiperidine-2,6-dione

C13H15BrN2O2 — CID 79499000

IUPAC1-[(2-amino-6-bromophenyl)methyl]-4-methylpiperidine-2,6-dione
SMILESCC1CC(=O)N(Cc2c(N)cccc2Br)C(=O)C1
InChIInChI=1S/C13H15BrN2O2/c1-8-5-12(17)16(13(18)6-8)7-9-10(14)3-2-4-11(9)15/h2-4,8H,5-7,15H2,1H3
InChIKeyVFDQFXASOGTKJW-UHFFFAOYSA-N
MW311.18 g/mol
LogP2.32
Rot. Bonds2

About 1-[(2-amino-6-bromophenyl)methyl]-4-methylpiperidine-2,6-dione

1-[(2-amino-6-bromophenyl)methyl]-4-methylpiperidine-2,6-dione (PubChem CID 79499000) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is 1-[(2-amino-6-bromophenyl)methyl]-4-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-[(2-amino-6-bromophenyl)methyl]-4-methylpiperidine-2,6-dione
PubChem CID79499000
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Name1-[(2-amino-6-bromophenyl)methyl]-4-methylpiperidine-2,6-dione
SMILESCC1CC(=O)N(Cc2c(N)cccc2Br)C(=O)C1
InChIInChI=1S/C13H15BrN2O2/c1-8-5-12(17)16(13(18)6-8)7-9-10(14)3-2-4-11(9)15/h2-4,8H,5-7,15H2,1H3
InChIKeyVFDQFXASOGTKJW-UHFFFAOYSA-N
XLogP2.32
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 52.32
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-6-bromophenyl)methyl]-4-methylpiperidine-2,6-dione?
The IUPAC name of 1-[(2-amino-6-bromophenyl)methyl]-4-methylpiperidine-2,6-dione (CID 79499000) is 1-[(2-amino-6-bromophenyl)methyl]-4-methylpiperidine-2,6-dione.
What is the SMILES notation for 1-[(2-amino-6-bromophenyl)methyl]-4-methylpiperidine-2,6-dione?
The canonical SMILES for 1-[(2-amino-6-bromophenyl)methyl]-4-methylpiperidine-2,6-dione is CC1CC(=O)N(Cc2c(N)cccc2Br)C(=O)C1.
What is the InChIKey of 1-[(2-amino-6-bromophenyl)methyl]-4-methylpiperidine-2,6-dione?
The InChIKey is VFDQFXASOGTKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c1-8-5-12(17)16(13(18)6-8)7-9-10(14)3-2-4-11(9)15/h2-4,8H,5-7,15H2,1H3.
What are the key properties of 1-[(2-amino-6-bromophenyl)methyl]-4-methylpiperidine-2,6-dione?
1-[(2-amino-6-bromophenyl)methyl]-4-methylpiperidine-2,6-dione has a molecular weight of 311.18 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-6-bromophenyl)methyl]-4-methylpiperidine-2,6-dione is sourced from PubChem (CID 79499000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).