1-(2-bromo-3,3-dimethylbutyl)-4,4-dimethylpiperidine-2,6-dione

C13H22BrNO2 — CID 15647143

IUPAC1-(2-bromo-3,3-dimethylbutyl)-4,4-dimethylpiperidine-2,6-dione
SMILESCC1(C)CC(=O)N(CC(Br)C(C)(C)C)C(=O)C1
InChIInChI=1S/C13H22BrNO2/c1-12(2,3)9(14)8-15-10(16)6-13(4,5)7-11(15)17/h9H,6-8H2,1-5H3
InChIKeyOVRJWLBXRJZQCE-UHFFFAOYSA-N
MW304.23 g/mol
LogP2.97
Rot. Bonds2

About 1-(2-bromo-3,3-dimethylbutyl)-4,4-dimethylpiperidine-2,6-dione

1-(2-bromo-3,3-dimethylbutyl)-4,4-dimethylpiperidine-2,6-dione (PubChem CID 15647143) has the molecular formula C13H22BrNO2 and a molecular weight of 304.23 g/mol. Its IUPAC name is 1-(2-bromo-3,3-dimethylbutyl)-4,4-dimethylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-(2-bromo-3,3-dimethylbutyl)-4,4-dimethylpiperidine-2,6-dione
PubChem CID15647143
Molecular FormulaC13H22BrNO2
Molecular Weight304.23 g/mol
Exact Mass303.08
IUPAC Name1-(2-bromo-3,3-dimethylbutyl)-4,4-dimethylpiperidine-2,6-dione
SMILESCC1(C)CC(=O)N(CC(Br)C(C)(C)C)C(=O)C1
InChIInChI=1S/C13H22BrNO2/c1-12(2,3)9(14)8-15-10(16)6-13(4,5)7-11(15)17/h9H,6-8H2,1-5H3
InChIKeyOVRJWLBXRJZQCE-UHFFFAOYSA-N
XLogP2.97
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 52.97
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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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3,3-dimethylbutyl)-4,4-dimethylpiperidine-2,6-dione?
The IUPAC name of 1-(2-bromo-3,3-dimethylbutyl)-4,4-dimethylpiperidine-2,6-dione (CID 15647143) is 1-(2-bromo-3,3-dimethylbutyl)-4,4-dimethylpiperidine-2,6-dione.
What is the SMILES notation for 1-(2-bromo-3,3-dimethylbutyl)-4,4-dimethylpiperidine-2,6-dione?
The canonical SMILES for 1-(2-bromo-3,3-dimethylbutyl)-4,4-dimethylpiperidine-2,6-dione is CC1(C)CC(=O)N(CC(Br)C(C)(C)C)C(=O)C1.
What is the InChIKey of 1-(2-bromo-3,3-dimethylbutyl)-4,4-dimethylpiperidine-2,6-dione?
The InChIKey is OVRJWLBXRJZQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrNO2/c1-12(2,3)9(14)8-15-10(16)6-13(4,5)7-11(15)17/h9H,6-8H2,1-5H3.
What are the key properties of 1-(2-bromo-3,3-dimethylbutyl)-4,4-dimethylpiperidine-2,6-dione?
1-(2-bromo-3,3-dimethylbutyl)-4,4-dimethylpiperidine-2,6-dione has a molecular weight of 304.23 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3,3-dimethylbutyl)-4,4-dimethylpiperidine-2,6-dione is sourced from PubChem (CID 15647143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).