(3-{[2-(2-Bromo-phenylamino)-ethylamino]-methyl}-phenyl)-piperidin-1-yl-methanone
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Basic information
- Standard SMILES
O=C(c1cccc(CNCCNc2ccccc2Br)c1)N1CCCCC1- InChIKey
HIICIGLZVORVPI-UHFFFAOYSA-N- Molecular formula
- C21H26BrN3O
- Average molar mass
- 416.4 g/mol
- Monoisotopic mass
- 415.12593
Names & identifiers
- Preferred name
- (3-{[2-(2-Bromo-phenylamino)-ethylamino]-methyl}-phenyl)-piperidin-1-yl-methanone
- IUPAC
- [3-[[2-(2-bromoanilino)ethylamino]methyl]phenyl]-piperidin-1-ylmethanone
Names & synonyms
SCHEMBL1471433HIICIGLZVORVPI-UHFFFAOYSA-N(3-{[2-(2-Bromo-phenylamino)-ethylamino]-methyl}-phenyl)-piperidin-1-yl-methanone
Database identifiers
- PubChem CID
- 58975554
Properties
Computed structural propertiesFilling in
- XLogP
- 4
- Topological polar surface area
- 44.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 427
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Related reactions
4 records
Compound notes
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