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Basic information
- Standard SMILES
CCCCC(C)(C)c1ccc(CC(C)CN2CCCCC2)c(Br)c1- InChIKey
WUPZDBSPXYHUSF-UHFFFAOYSA-N- Molecular formula
- C22H36BrN
- Average molar mass
- 394.4 g/mol
Names & identifiers
- Preferred name
- N-{3-[2-Bromo-4-(1,1-dimethylpentyl)-phenyl]-2-methylpropyl}-piperidine
- IUPAC
- 1-[3-[2-bromo-4-(2-methylhexan-2-yl)phenyl]-2-methylpropyl]piperidine
Names & synonyms
WUPZDBSPXYHUSF-UHFFFAOYSA-NN-{3-[2-Bromo-4-(1,1-dimethylpentyl)-phenyl]-2-methylpropyl}-piperidine
Database identifiers
- PubChem CID
- 13142000
Properties
Computed structural propertiesFilling in
- XLogP
- 7.8
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 348
Related reactions
3 records
Compound notes
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