1-Ethyl-1-[4-(4-hexoxyphenoxy)butyl]piperidin-1-ium
Basic information
- CAS
53646-74-5- Standard SMILES
CCCCCCOc1ccc(OCCCC[N+]2(CC)CCCCC2)cc1- InChIKey
ZQAPQVSSNPMIOX-UHFFFAOYSA-N- Molecular formula
- C23H40NO2+
- Average molar mass
- 362.6 g/mol
- Monoisotopic mass
- 362.30590452
Names & identifiers
- Preferred name
- 1-Ethyl-1-[4-(4-hexoxyphenoxy)butyl]piperidin-1-ium
- IUPAC
- 1-ethyl-1-[4-(4-hexoxyphenoxy)butyl]piperidin-1-ium
Names & synonyms
53646-74-5NSC2918071-ethyl-1-[4-(4-hexoxyphenoxy)butyl]piperidin-1-iumDTXSID40330656NSC-2918071-ETHYL-1-{4-[4-(HEXYLOXY)PHENOXY]BUTYL}PIPERIDIN-1-IUM
Database identifiers
- CAS
53646-74-5- PubChem CID
- 431307
- DTXSID
DTXSID40330656
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 13
- Heavy atoms
- 26
- Formal charge
- 1
- Complexity
- 333
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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