Piperazine, 1-(4-(alpha-(p-chlorophenyl)benzyloxy)butyl)-4-(2-methylbenzyl)-, dihydrochloride
Basic information
- CAS
63981-25-9- Standard SMILES
Cc1ccccc1CN1CCN(CCCCOC(c2ccccc2)c2ccc(Cl)cc2)CC1.Cl.Cl- InChIKey
AFETVQRYWPRPPW-UHFFFAOYSA-N- Molecular formula
- C29H37Cl3N2O
- Average molar mass
- 536 g/mol
- Monoisotopic mass
- 534.197147
Names & identifiers
- Preferred name
- Piperazine, 1-(4-(alpha-(p-chlorophenyl)benzyloxy)butyl)-4-(2-methylbenzyl)-, dihydrochloride
- IUPAC
- 1-[4-[(4-chlorophenyl)-phenylmethoxy]butyl]-4-[(2-methylphenyl)methyl]piperazine;dihydrochloride
Names & synonyms
1-(4-(alpha-(p-Chlorophenyl)benzyloxy)butyl)-4-(2-methylbenzyl)piperazine dihydrochloride63981-25-9Piperazine, 1-(4-(alpha-(p-chlorophenyl)benzyloxy)butyl)-4-(2-methylbenzyl)-, dihydrochlorideRefChem:372327DTXSID009816031-{4-[(4-Chlorophenyl)(phenyl)methoxy]butyl}-4-[(2-methylphenyl)methyl]piperazine--hydrogen chloride (1/2)
Database identifiers
- CAS
63981-25-9- PubChem CID
- 115494
- DTXSID
DTXSID00981603
Properties
Computed structural properties
- Topological polar surface area
- 15.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 524
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Compound notes
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