1-(2-bromoethyl)-4,4-dimethylpiperidine-2,6-dione

C9H14BrNO2 — CID 11806989

IUPAC1-(2-bromoethyl)-4,4-dimethylpiperidine-2,6-dione
SMILESCC1(C)CC(=O)N(CCBr)C(=O)C1
InChIInChI=1S/C9H14BrNO2/c1-9(2)5-7(12)11(4-3-10)8(13)6-9/h3-6H2,1-2H3
InChIKeyAOYJXSZTKOSLBB-UHFFFAOYSA-N
MW248.12 g/mol
LogP1.56
Rot. Bonds2

About 1-(2-bromoethyl)-4,4-dimethylpiperidine-2,6-dione

1-(2-bromoethyl)-4,4-dimethylpiperidine-2,6-dione (PubChem CID 11806989) has the molecular formula C9H14BrNO2 and a molecular weight of 248.12 g/mol. Its IUPAC name is 1-(2-bromoethyl)-4,4-dimethylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-(2-bromoethyl)-4,4-dimethylpiperidine-2,6-dione
PubChem CID11806989
Molecular FormulaC9H14BrNO2
Molecular Weight248.12 g/mol
Exact Mass247.02
IUPAC Name1-(2-bromoethyl)-4,4-dimethylpiperidine-2,6-dione
SMILESCC1(C)CC(=O)N(CCBr)C(=O)C1
InChIInChI=1S/C9H14BrNO2/c1-9(2)5-7(12)11(4-3-10)8(13)6-9/h3-6H2,1-2H3
InChIKeyAOYJXSZTKOSLBB-UHFFFAOYSA-N
XLogP1.56
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.12
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 91281
CID 91281
CID 544425
CID 544425
CID 13660335
CID 13660335
CID 20785752
CID 20785752
CID 15266440
CID 15266440
CID 129698325
CID 129698325
CID 115894
CID 115894
CID 3028446
CID 3028446
CID 15647143
CID 15647143
CID 85523719
CID 85523719
CID 85523722
CID 85523722
CID 10943981
CID 10943981

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethyl)-4,4-dimethylpiperidine-2,6-dione?
The IUPAC name of 1-(2-bromoethyl)-4,4-dimethylpiperidine-2,6-dione (CID 11806989) is 1-(2-bromoethyl)-4,4-dimethylpiperidine-2,6-dione.
What is the SMILES notation for 1-(2-bromoethyl)-4,4-dimethylpiperidine-2,6-dione?
The canonical SMILES for 1-(2-bromoethyl)-4,4-dimethylpiperidine-2,6-dione is CC1(C)CC(=O)N(CCBr)C(=O)C1.
What is the InChIKey of 1-(2-bromoethyl)-4,4-dimethylpiperidine-2,6-dione?
The InChIKey is AOYJXSZTKOSLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNO2/c1-9(2)5-7(12)11(4-3-10)8(13)6-9/h3-6H2,1-2H3.
What are the key properties of 1-(2-bromoethyl)-4,4-dimethylpiperidine-2,6-dione?
1-(2-bromoethyl)-4,4-dimethylpiperidine-2,6-dione has a molecular weight of 248.12 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethyl)-4,4-dimethylpiperidine-2,6-dione is sourced from PubChem (CID 11806989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).