1-Boc-4-[2-(4-bromo-phenyl)-ethylamino]-piperidine
Basic information
- CAS
887584-01-2- Standard SMILES
CC(C)(C)OC(=O)N1CCC(NCCc2ccc(Br)cc2)CC1- InChIKey
PKEKOQXJXISTLW-UHFFFAOYSA-N- Molecular formula
- C18H27BrN2O2
- Average molar mass
- 383.3 g/mol
- Monoisotopic mass
- 382.12559
Names & identifiers
- Preferred name
- 1-Boc-4-[2-(4-bromo-phenyl)-ethylamino]-piperidine
- IUPAC
- tert-butyl 4-[2-(4-bromophenyl)ethylamino]piperidine-1-carboxylate
- English name
- 1-Boc-4-[2-(4-bromo-phenyl)-ethylamino]-piperidine
- Molecular formula
- C18H27BrN2O2
- Molecular weight
- 383.32
Names & synonyms
887584-01-21-BOC-4-[2-(4-BROMO-PHENYL)-ETHYLAMINO]-PIPERIDINEtert-butyl 4-[2-(4-bromophenyl)ethylamino]piperidine-1-carboxylate1-Piperidinecarboxylicacid, 4-[[2-(4-bromophenyl)ethyl]amino]-, 1,1-dimethylethyl ester1-boc-4-[2-(4-bromophenyl)ethylamino]piperidineSCHEMBL18129124DTXSID70723077TERT-BUTYL 4-{[2-(4-BROMOPHENYL)ETHYL]AMINO}PIPERIDINE-1-CARBOXYLATEA1-14766
Database identifiers
- CAS
887584-01-2- PubChem CID
- 57355356
- DTXSID
DTXSID70723077
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 368
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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