4-(4-Methoxy-phenoxymethyl)-piperidine
Basic information
- CAS
63608-38-8- Standard SMILES
COc1ccc(OCC2CCNCC2)cc1- InChIKey
NPWGQYGFHRSCQA-UHFFFAOYSA-N- Molecular formula
- C13H19NO2
- Average molar mass
- 221.29 g/mol
- Monoisotopic mass
- 221.14157885
Names & identifiers
- Preferred name
- 4-(4-Methoxy-phenoxymethyl)-piperidine
- IUPAC
- 4-[(4-methoxyphenoxy)methyl]piperidine
- English name
- 4-(4-METHOXY-PHENOXYMETHYL)-PIPERIDINE
- Molecular formula
- C13H19NO2
- Molecular weight
- 221.3
Names & synonyms
63608-38-84-[(4-methoxyphenoxy)methyl]piperidine4-((4-Methoxyphenoxy)methyl)piperidine4-(4-Methoxy-phenoxymethyl)-piperidineMFCD074021974-methoxy-1-(4-piperidylmethoxy)benzeneHMS1699O127175AECHEMBL1625954DTXSID00424666SBB011477AKOS000170588
Show more names
OTAVA-BB 1135823TIMTEC-BB SBB011477ASINEX-REAG BAS 140506634-(4-Methoxyphenoxymethyl)-piperidinPiperidine, 4-[(4-methoxyphenoxy)methyl]-4-[(4-methoxyphenoxy)methyl]piperidine(SALTDATA: FREE)
SB44145BS-38209CS-0326756ST50318098F311952
Database identifiers
- CAS
63608-38-8- PubChem CID
- 6498684
- DTXSID
DTXSID00424666- ChEMBL
CHEMBL1625954
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 184
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
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Related reactions
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Compound notes
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