3-[(4-Fluorobenzyl)oxy]piperidine
Basic information
- CAS
933736-19-7- Standard SMILES
Fc1ccc(COC2CCCNC2)cc1- InChIKey
HHIHAEIWKSVRHP-UHFFFAOYSA-N- Molecular formula
- C12H16FNO
- Average molar mass
- 209.26 g/mol
- Monoisotopic mass
- 209.1215923
Names & identifiers
- Preferred name
- 3-[(4-Fluorobenzyl)oxy]piperidine
- IUPAC
- 3-[(4-fluorophenyl)methoxy]piperidine
- English name
- 3-[(4-Fluorobenzyl)oxy]piperidine
- Molecular formula
- C12H16FNO
- Molecular weight
- 209.26
Names & synonyms
933736-19-73-((4-Fluorobenzyl)oxy)piperidine3-[(4-Fluorobenzyl)oxy]piperidine3-[(4-fluorophenyl)methoxy]piperidineDTXSID806630163-(4-Fluoro-benzyloxy)-piperidineAKOS011613181A1-04511Piperidine, 3-[(4-fluorophenyl)methoxy]-
Database identifiers
- CAS
933736-19-7- PubChem CID
- 45075376
- DTXSID
DTXSID80663016
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 180
Physicochemical properties
- Boiling point
- 293.5 · 293.5±35.0 °C(Predicted)
- Density
- 1.1 · 1.10±0.1 g/cm3(Predicted)
- pka
- 9.32 · 9.32±0.10(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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