4-[(4-Methylphenoxy)methyl]piperidine
Basic information
- CAS
63608-42-4- Standard SMILES
Cc1ccc(OCC2CCNCC2)cc1- InChIKey
OIRBFUKKCSYAKX-UHFFFAOYSA-N- Molecular formula
- C13H19NO
- Average molar mass
- 205.3 g/mol
- Monoisotopic mass
- 205.14666423
Names & identifiers
- Preferred name
- 4-[(4-Methylphenoxy)methyl]piperidine
- IUPAC
- 4-[(4-methylphenoxy)methyl]piperidine
- English name
- 4-[(4-Methylphenoxy)methyl]piperidine
- Molecular formula
- C13H19NO
- Molecular weight
- 205.3
Names & synonyms
4-[(4-Methylphenoxy)methyl]piperidine63608-42-4DTXSID00626527SCHEMBL82372AKOS000187620OTAVA-BB 1135810Piperidine, 4-[(4-methylphenoxy)methyl]-
Database identifiers
- CAS
63608-42-4- PubChem CID
- 22566471
- DTXSID
DTXSID00626527
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- 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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