Tert-butyl 4-[[(2-methyl-3-phenylprop-2-enyl)amino]methyl]piperidine-1-carboxylate
Basic information
- Standard SMILES
CC(=Cc1ccccc1)CNCC1CCN(C(=O)OC(C)(C)C)CC1- InChIKey
NSGHFFSNPJAKBP-UHFFFAOYSA-N- Molecular formula
- C21H32N2O2
- Average molar mass
- 344.5 g/mol
- Monoisotopic mass
- 344.24637827
Names & identifiers
- Preferred name
- Tert-butyl 4-[[(2-methyl-3-phenylprop-2-enyl)amino]methyl]piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-[[(2-methyl-3-phenylprop-2-enyl)amino]methyl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL3982843
Database identifiers
- PubChem CID
- 770189
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 439
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Related reactions
1 records
Compound notes
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