3-(4-Methoxyphenoxy)piperidine
Basic information
- CAS
902837-31-4- Standard SMILES
COc1ccc(OC2CCCNC2)cc1- InChIKey
RLOWUIOSLGWUIA-UHFFFAOYSA-N- Molecular formula
- C12H17NO2
- Average molar mass
- 207.27 g/mol
- Monoisotopic mass
- 207.12592879
Names & identifiers
- Preferred name
- 3-(4-Methoxyphenoxy)piperidine
- IUPAC
- 3-(4-methoxyphenoxy)piperidine
- English name
- 3-(4-Methoxyphenoxy)piperidine
- Molecular formula
- C12H17NO2
- Molecular weight
- 207.27
Names & synonyms
3-(4-methoxyphenoxy)piperidine902837-31-438247-88-03-(4-Methoxyphenoxy)piperidine, HClSCHEMBL2099085SCHEMBL3153942DTXSID001306776AKOS005263919DB-182756CS-0302867EN300-363439Piperidine, 3-(4-methoxyphenoxy)-
Database identifiers
- CAS
902837-31-4- PubChem CID
- 3345976
- DTXSID
DTXSID001306776
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 178
Physicochemical properties
- Boiling point
- 326.2 · 326.2±32.0 °C(Predicted)
- Density
- 1.057 · 1.057±0.06 g/cm3(Predicted)
- pka
- 9.03 · 9.03±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
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Compound notes
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