Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(COc2ccc(Br)nc2)CC1- InChIKey
SSMZXTWLXRPKNZ-UHFFFAOYSA-N- Molecular formula
- C16H23BrN2O3
- Average molar mass
- 371.27 g/mol
Names & identifiers
- Preferred name
- 1,1-Dimethylethyl 4-{[(6-bromo-3-pyridinyl)oxy]methyl}-1-piperidinecarboxylate
- IUPAC
- tert-butyl 4-[(6-bromo-3-pyridinyl)oxymethyl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL384358SCHEMBL29674744SSMZXTWLXRPKNZ-UHFFFAOYSA-NDB-388392A1-02285tert-butyl 4-(((6-bromopyridin-3-yl)oxy)methyl)piperidine-1-carboxylate1,1 -Dimethylethyl 4-{[(6-bromo-3-pyridinyl)oxy]methyl}-1-piperidinecarboxylate1,1-dimethylethyl 4-{[(6-bromo-3-pyridinyl)oxy]methyl}-1-piperidinecarboxylate4-(6-Bromo-pyridin-3-yloxymethyl)-piperidine-1-carboxylic acid tert-butyl ester1032825-09-4
Database identifiers
- PubChem CID
- 57930201
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 51.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 365
Related reactions
16 records
Compound notes
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