Basic information
- Standard SMILES
COC(=O)C1=CCCN(Cc2ccccc2)C1N- InChIKey
HDGHIYQSIBCPAA-UHFFFAOYSA-N- Molecular formula
- C14H18N2O2
- Average molar mass
- 246.3 g/mol
Names & identifiers
- Preferred name
- Amino-1-benzyl-1,2,5,6-tetrahydro-pyridine-3-carboxylic acid methyl ester
- IUPAC
- methyl 6-amino-1-benzyl-3,6-dihydro-2H-pyridine-5-carboxylate
Names & synonyms
SCHEMBL3551860HDGHIYQSIBCPAA-UHFFFAOYSA-Namino-1-benzyl-1,2,5,6-tetrahydro-pyridine-3-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 68687101
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 322
Related reactions
1 records
Compound notes
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