1-(Bis(4-fluorophenyl)methyl)-4-(3-(4'-hydroxyphenyl)-2-propenyl)piperazine
Basic information
- CAS
100551-77-7- Standard SMILES
Oc1ccc(/C=C/CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1- InChIKey
BORXUYRMIOAMIE-OWOJBTEDSA-N- Molecular formula
- C26H26F2N2O
- Average molar mass
- 420.5 g/mol
- Monoisotopic mass
- 420.20131978
Overview
structure given in first source
Names & identifiers
- Preferred name
- 1-(Bis(4-fluorophenyl)methyl)-4-(3-(4'-hydroxyphenyl)-2-propenyl)piperazine
- IUPAC
- 4-[(E)-3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]prop-1-enyl]phenol
Names & synonyms
100551-77-7M-2-bfpm-4-hppp1-(Bis(4-fluorophenyl)methyl)-4-(3-(4'-hydroxyphenyl)-2-propenyl)piperazineRefChem:74627Hydroxy Flunarizine87166-81-24-[(E)-3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]prop-1-enyl]phenolNS00116377
Database identifiers
- CAS
100551-77-7- PubChem CID
- 6438877
- Nikkaji
- J518.131C
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 26.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 520
Chemistry & industry
Pharmacology
Metabolism/MetabolitesP-Hydroxyflunarizine is a known human metabolite of flunarizine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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