3-(4-Isopropylphenoxy)piperidine
Basic information
- CAS
946726-03-0- Standard SMILES
CC(C)c1ccc(OC2CCCNC2)cc1- InChIKey
DYLBQZLBKYGVOJ-UHFFFAOYSA-N- Molecular formula
- C14H21NO
- Average molar mass
- 219.32 g/mol
- Monoisotopic mass
- 219.16231429
Names & identifiers
- Preferred name
- 3-(4-Isopropylphenoxy)piperidine
- IUPAC
- 3-(4-propan-2-ylphenoxy)piperidine
- English name
- 3-(4-Isopropylphenoxy)piperidine
- Molecular formula
- C14H21NO
- Molecular weight
- 219.32
Names & synonyms
3-(4-Isopropylphenoxy)piperidine946726-03-03-[4-(Propan-2-yl)phenoxy]piperidine3-(4-propan-2-ylphenoxy)piperidineDTXSID60663039SCHEMBL25897974AKOS010950951CS-0273848EN300-18386943-[4-(1-METHYLETHYL)PHENOXY]PIPERIDINEPiperidine, 3-[4-(1-methylethyl)phenoxy]-
Database identifiers
- CAS
946726-03-0- PubChem CID
- 45075418
- DTXSID
DTXSID60663039
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 197
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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