3-[[2-[2-(3-Methoxyphenyl)ethyl]phenoxy]methyl]piperidine
Basic information
- Standard SMILES
COc1cccc(CCc2ccccc2OCC2CCCNC2)c1- InChIKey
IHFZDJNXZWBTPC-UHFFFAOYSA-N- Molecular formula
- C21H27NO2
- Average molar mass
- 325.4 g/mol
- Monoisotopic mass
- 325.2041791
Names & identifiers
- Preferred name
- 3-[[2-[2-(3-Methoxyphenyl)ethyl]phenoxy]methyl]piperidine
- IUPAC
- 3-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]piperidine
Names & synonyms
SCHEMBL27331935
Database identifiers
- PubChem CID
- 10808596
- Nikkaji
- J1.234.724C
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 349
Related reactions
1 records
Compound notes
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