ethyl 1-{[5-bromo-2-(1H-tetrazol-1-yl)phenyl]carbonyl}piperidine-4-carboxylate
Basic information
- CAS
1010902-79-0- Standard SMILES
CCOC(=O)C1CCN(C(=O)c2cc(Br)ccc2-n2cnnn2)CC1- InChIKey
FRRPMPGSEDLVPR-UHFFFAOYSA-N- Molecular formula
- C16H18BrN5O3
- Average molar mass
- 408.25 g/mol
Names & identifiers
- Preferred name
- ethyl 1-{[5-bromo-2-(1H-tetrazol-1-yl)phenyl]carbonyl}piperidine-4-carboxylate
- IUPAC
- ethyl 1-[5-bromo-2-(tetrazol-1-yl)benzoyl]piperidine-4-carboxylate
- English name
- ethyl 1-{[5-bromo-2-(1H-tetrazol-1-yl)phenyl]carbonyl}piperidine-4-carboxylate
- Molecular formula
- C16H18BrN5O3
- Molecular weight
- 408.25
Names & synonyms
CHEMBL3443265STK636989AKOS005569012ethyl 1-(5-bromo-2-(1H-tetrazol-1-yl)benzoyl)piperidine-4-carboxylateethyl 1-{[5-bromo-2-(1H-tetrazol-1-yl)phenyl]carbonyl}piperidine-4-carboxylate4-Piperidinecarboxylic acid, 1-[5-bromo-2-(1H-tetrazol-1-yl)benzoyl]-, ethyl ester
Database identifiers
- CAS
1010902-79-0- ChEMBL
CHEMBL3443265
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 90.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 486
Physicochemical properties
- Boiling point
- 569.1 · 569.1±60.0 °C(Predicted)
- Density
- 1.61 · 1.61±0.1 g/cm3(Predicted)
- pka
- 0.22 · 0.22±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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