Basic information
- Standard SMILES
CN1CCCCC1COc1ccccc1N1CCN(C(=O)OC(C)(C)C)CC1- InChIKey
PEBWADZEPIJKIX-UHFFFAOYSA-N- Molecular formula
- C22H35N3O3
- Average molar mass
- 389.5 g/mol
Names & identifiers
- Preferred name
- 4-[2-(1-Methyl-piperidin-2-ylmethoxy)-phenyl]-piperazine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-[2-[(1-methylpiperidin-2-yl)methoxy]phenyl]piperazine-1-carboxylate
Names & synonyms
SCHEMBL5365978PEBWADZEPIJKIX-UHFFFAOYSA-N4-[2-(1-Methyl-piperidin-2-ylmethoxy)-phenyl]-piperazine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 69418314
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 500
Related reactions
2 records
Compound notes
Loading…