Basic information
- Standard SMILES
CCOC(=O)CC1CCCN(CC(O)c2ccc(C#N)cc2)C1- InChIKey
VRAGLHNRJHPZCV-UHFFFAOYSA-N- Molecular formula
- C18H24N2O3
- Average molar mass
- 316.4 g/mol
Names & identifiers
- Preferred name
- Ethyl 2-[1-[2-(4-cyanophenyl)-2-hydroxyethyl]piperidin-3-yl]acetate
- IUPAC
- ethyl 2-[1-[2-(4-cyanophenyl)-2-hydroxyethyl]piperidin-3-yl]acetate
Names & synonyms
SCHEMBL2293803
Database identifiers
- PubChem CID
- 67352235
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 73.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 423
Related reactions
2 records
Compound notes
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