Basic information
- Standard SMILES
CCCCCCCCCCCCCCCCOCC(O)CN1CCC(C#N)(c2ccccc2)CC1- InChIKey
AYZDXZBGGDZPFQ-UHFFFAOYSA-N- Molecular formula
- C31H52N2O2
- Average molar mass
- 484.8 g/mol
- Monoisotopic mass
- 484.40287891
Names & identifiers
- Preferred name
- 4-Cyano-1-(2-hydroxy-3-n-hexadecyloxypropyl)-4-phenylpiperidine
- IUPAC
- 1-(3-hexadecoxy-2-hydroxypropyl)-4-phenylpiperidine-4-carbonitrile
Names & synonyms
SCHEMBL11149763AYZDXZBGGDZPFQ-UHFFFAOYSA-N4-Cyano-1-(2-hydroxy-3-n-hexadecyloxypropyl)-4-phenylpiperidine
Database identifiers
- PubChem CID
- 13037802
Properties
Computed structural properties
- XLogP
- 8.9
- Topological polar surface area
- 56.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 20
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 543
Related reactions
2 records
Compound notes
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