4-[(2-Ethylphenoxy)methyl]piperidine
Basic information
- CAS
946713-73-1- Standard SMILES
CCc1ccccc1OCC1CCNCC1- InChIKey
SIWFDPQWVCNYFU-UHFFFAOYSA-N- Molecular formula
- C14H21NO
- Average molar mass
- 219.32 g/mol
- Monoisotopic mass
- 219.16231429
Names & identifiers
- Preferred name
- 4-[(2-Ethylphenoxy)methyl]piperidine
- IUPAC
- 4-[(2-ethylphenoxy)methyl]piperidine
- English name
- 4-[(2-ETHYLPHENOXY)METHYL]PIPERIDINE
- Molecular formula
- C14H21NO
- Molecular weight
- 219.32
Names & synonyms
4-[(2-Ethylphenoxy)methyl]piperidine946713-73-14-((2-ETHYLPHENOXY)METHYL)PIPERIDINEAKOS010950039Piperidine, 4-[(2-ethylphenoxy)methyl]-
Database identifiers
- CAS
946713-73-1- PubChem CID
- 26191046
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 189
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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