Basic information
- Standard SMILES
Cc1ccc(C2CCCN(C(=O)OCc3ccccc3)C2)cc1N- InChIKey
LILQELWWNPBHNJ-UHFFFAOYSA-N- Molecular formula
- C20H24N2O2
- Average molar mass
- 324.4 g/mol
Names & identifiers
- Preferred name
- 3-(3-Amino-4-methylphenyl)piperidine-1-carboxylic acid benzyl ester
- IUPAC
- benzyl 3-(3-amino-4-methylphenyl)piperidine-1-carboxylate
Names & synonyms
SCHEMBL4031116LILQELWWNPBHNJ-UHFFFAOYSA-N3-(3-amino-4-methylphenyl)piperidine-1-carboxylic acid benzyl ester702683-79-2DB-2176203-(3-amino-4-methyl-phenyl)-piperidine-1-carboxylic acid benzyl ester
Database identifiers
- PubChem CID
- 68884279
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 408
Related reactions
2 records
Compound notes
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