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Basic information
- CAS
1160247-58-4- Standard SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CC(N)c1cccc(Br)c12- InChIKey
NIBUWELKNQAJIR-UHFFFAOYSA-N- Molecular formula
- C18H25BrN2O2
- Average molar mass
- 381.3 g/mol
- Monoisotopic mass
- 380.10994014
Names & identifiers
- Preferred name
- tert-Butyl 3-amino-7-bromo-2,3-dihydrospiro[indene-1,4'-piperidine]-1'-carboxylate
- IUPAC
- tert-butyl 1-amino-4-bromospiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate
Names & synonyms
1160247-58-4tert-Butyl 3-amino-7-bromo-2,3-dihydrospiro[indene-1,4'-piperidine]-1'-carboxylatetert-butyl 1-amino-4-bromospiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylateSCHEMBL1953285NIBUWELKNQAJIR-UHFFFAOYSA-NDTXSID401119599Tert-Butyl 3-Amino-7-Bromo-2,3-Dihydrospiro[Indene-1,4-Piperidine]-1-Carboxylatetert-Butyl3-amino-7-bromo-2,3-dihydrospiro[indene-1,4'-piperidine]-1'-carboxylateBS-41799CS-0037374D72620tert-butyl 3-amino-7-bromo-spiro[indane-1,4'-piperidine]-1'-carboxylate
Show more names
(+/-)-tert-butyl 3-amino-7-bromo-2,3-dihydrospiro[indene-1,4'-piperidine]-1'-carboxylate1,1-Dimethylethyl 3-amino-7-bromo-2,3-dihydrospiro[1H-indene-1,4a(2)-piperidine]-1a(2)-carboxylate
Database identifiers
- CAS
1160247-58-4- PubChem CID
- 49760930
- DTXSID
DTXSID401119599
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 454
Related reactions
2 records
Compound notes
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