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

C14H16BrNO2 — CID 60975356

IUPAC1-[(2-bromophenyl)methyl]-4,4-dimethylpiperidine-2,6-dione
SMILESCC1(C)CC(=O)N(Cc2ccccc2Br)C(=O)C1
InChIInChI=1S/C14H16BrNO2/c1-14(2)7-12(17)16(13(18)8-14)9-10-5-3-4-6-11(10)15/h3-6H,7-9H2,1-2H3
InChIKeyVUSIZVWBQXQTJE-UHFFFAOYSA-N
MW310.19 g/mol
LogP3.12
Rot. Bonds2

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

1-[(2-bromophenyl)methyl]-4,4-dimethylpiperidine-2,6-dione (PubChem CID 60975356) has the molecular formula C14H16BrNO2 and a molecular weight of 310.19 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-4,4-dimethylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-4,4-dimethylpiperidine-2,6-dione
PubChem CID60975356
Molecular FormulaC14H16BrNO2
Molecular Weight310.19 g/mol
Exact Mass309.04
IUPAC Name1-[(2-bromophenyl)methyl]-4,4-dimethylpiperidine-2,6-dione
SMILESCC1(C)CC(=O)N(Cc2ccccc2Br)C(=O)C1
InChIInChI=1S/C14H16BrNO2/c1-14(2)7-12(17)16(13(18)8-14)9-10-5-3-4-6-11(10)15/h3-6H,7-9H2,1-2H3
InChIKeyVUSIZVWBQXQTJE-UHFFFAOYSA-N
XLogP3.12
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 53.12
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

3-bromo-4-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]benzoic acid
CID 102766198
1-[(2-bromophenyl)methyl]-3-methylimidazolidine-2,4,5-trione
CID 7757108
3-[(2-bromophenyl)methyl]-5,5-dimethylcyclohex-2-en-1-one
CID 65176853
1-[(5-bromo-2-pyridinyl)methyl]-4,4-dimethylpiperidine-2,6-dione
CID 113455679
7-[(2-bromophenyl)methyl]-5,7-diazaspiro[2.5]octane-6,8-dione
CID 138012218
3-[(2-bromophenyl)methyl]-1-cyclopropylimidazolidine-2,4-dione
CID 87022605
6-(aminomethyl)-4-[(2-bromophenyl)methyl]-6-methylmorpholin-3-one
CID 115068056
1-[(2-bromophenyl)methyl]-6-ethyl-6-methylpiperazine-2,5-dione
CID 64878954
1-[(4-bromo-3-nitrophenyl)methyl]-4,4-dimethylpiperidine-2,6-dione
CID 115557886
1-[[4-(aminomethyl)-2-methylphenyl]methyl]-4,4-dimethylpiperidine-2,6-dione
CID 114479109
1-[(2-chlorophenyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione
CID 117060733
1-[[3-(aminomethyl)phenyl]methyl]-4,4-dimethylpiperidine-2,6-dione
CID 55155375

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]-4,4-dimethylpiperidine-2,6-dione?
The IUPAC name of 1-[(2-bromophenyl)methyl]-4,4-dimethylpiperidine-2,6-dione (CID 60975356) is 1-[(2-bromophenyl)methyl]-4,4-dimethylpiperidine-2,6-dione.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-4,4-dimethylpiperidine-2,6-dione?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-4,4-dimethylpiperidine-2,6-dione is CC1(C)CC(=O)N(Cc2ccccc2Br)C(=O)C1.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-4,4-dimethylpiperidine-2,6-dione?
The InChIKey is VUSIZVWBQXQTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO2/c1-14(2)7-12(17)16(13(18)8-14)9-10-5-3-4-6-11(10)15/h3-6H,7-9H2,1-2H3.
What are the key properties of 1-[(2-bromophenyl)methyl]-4,4-dimethylpiperidine-2,6-dione?
1-[(2-bromophenyl)methyl]-4,4-dimethylpiperidine-2,6-dione has a molecular weight of 310.19 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]-4,4-dimethylpiperidine-2,6-dione is sourced from PubChem (CID 60975356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).