Basic information
- Standard SMILES
O=C(OCc1ccccc1)N1CCC=C(CO)C1- InChIKey
BCFLJWPOCNPMQB-UHFFFAOYSA-N- Molecular formula
- C14H17NO3
- Average molar mass
- 247.29 g/mol
Names & identifiers
- Preferred name
- 1-Benzyloxycarbonyl-3-hydroxymethyl-1,2,5,6-tetrahydropyridine
- IUPAC
- benzyl 5-(hydroxymethyl)-3,6-dihydro-2H-pyridine-1-carboxylate
Names & synonyms
SCHEMBL9177301BCFLJWPOCNPMQB-UHFFFAOYSA-N1-Benzyloxycarbonyl-3-hydroxymethyl-1,2,5,6-tetrahydropyridine
Database identifiers
- PubChem CID
- 20089931
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 308
Related reactions
3 records
Compound notes
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