Basic information
- Standard SMILES
CC(C)OC(=O)N1CCC(COc2ccc(Br)cc2)CC1- InChIKey
KFFLDIPCUVTSNQ-UHFFFAOYSA-N- Molecular formula
- C16H22BrNO3
- Average molar mass
- 356.25 g/mol
Names & identifiers
- Preferred name
- 4-(4-Bromophenoxymethyl)piperidine-1-carboxylic acid isopropyl ester
- IUPAC
- propan-2-yl 4-[(4-bromophenoxy)methyl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL387351KFFLDIPCUVTSNQ-UHFFFAOYSA-N(Propan-2-yl) 4-((4-bromophenoxy)methyl)piperidine-1-carboxylate4-(4-Bromophenoxymethyl)piperidine-1-carboxylic acid isopropyl ester1-methylethyl 4-{[(4-bromophenyl)oxy]methyl}-1-piperidinecarboxylate1032824-90-0
Database identifiers
- PubChem CID
- 57930300
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 321
Related reactions
50 records
Compound notes
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