1-[3-(4-Chloro-2-methylphenoxy)propyl]-2-ethylpiperidine
Basic information
- CAS
5737-05-3- Standard SMILES
CCC1CCCCN1CCCOc1ccc(Cl)cc1C- InChIKey
LGSZYVNQMMEDSH-UHFFFAOYSA-N- Molecular formula
- C17H26ClNO
- Average molar mass
- 295.8 g/mol
- Monoisotopic mass
- 295.1702921
Names & identifiers
- Preferred name
- 1-[3-(4-Chloro-2-methylphenoxy)propyl]-2-ethylpiperidine
- IUPAC
- 1-[3-(4-chloro-2-methylphenoxy)propyl]-2-ethylpiperidine
Names & synonyms
5737-05-31-[3-(4-chloro-2-methylphenoxy)propyl]-2-ethylpiperidine1-[3-(4-chloro-2-methylphenoxy)propyl]-2-ethylpiperidine oxalateAGN-PC-0KE2YYSCHEMBL14970667DTXSID10386564
Database identifiers
- CAS
5737-05-3- PubChem CID
- 2865765
- DTXSID
DTXSID10386564
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 274
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Compound notes
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