Basic information
- CAS
158553-40-3- Standard SMILES
Brc1ccc(-c2nnn(CCN3CCCCC3)n2)cc1- InChIKey
KEMXQNJCSOQWPU-UHFFFAOYSA-N- Molecular formula
- C14H18BrN5
- Average molar mass
- 336.23 g/mol
- Monoisotopic mass
- 335.07456
Names & identifiers
- Preferred name
- Piperidine, 1-(2-(5-(4-bromophenyl)-2H-tetrazol-2-yl)ethyl)-
- IUPAC
- 1-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]piperidine
Names & synonyms
1-(2-(5-(4-Bromophenyl)-2H-tetrazol-2-yl)ethyl)piperidinePiperidine, 1-(2-(5-(4-bromophenyl)-2H-tetrazol-2-yl)ethyl)-158553-40-3DTXSID201664501-{2-[5-(4-Bromophenyl)-2H-tetrazol-2-yl]ethyl}piperidineRefChem:372959DTXCID2088941AKOS008651946
Database identifiers
- CAS
158553-40-3- PubChem CID
- 3074476
- DTXSID
DTXSID20166450- Nikkaji
- J545.142F
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 46.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 289
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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