1,4-dibenzyl(2,2,3,3-2H4)piperazine

• ChemBase ID: 166909
• Molecular Formular: C18H22N2
• Molecular Mass: 266.38068
• Monoisotopic Mass: 266.17829871
• SMILES: C1N(CCN(C1)Cc1ccccc1)Cc1ccccc1
• Canonical SMILES: c1ccc(cc1)CN1CCN(CC1)Cc1ccccc1
• InChI: InChI=1S/C18H22N2/c1-3-7-17(8-4-1)15-19-11-13-20(14-12-19)16-18-9-5-2-6-10-18/h1-10H,11-16H2
• InChIKey: YPUGLZQRXQQCSX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-dibenzyl(2,2,3,3-^2H₄)piperazine
• IUPAC Traditional name: 1,4-dibenzyl(2,2,3,3-^2H₄)piperazine
• Synonyms: 1,4-Bis(phenylmethyl)piperazine-d4 Hydrochloride; N,N'-Dibenzylpiperazine-d4 Dihydrochloride; DBZP-d4; 1,4-Dibenzylpiperazine-d4 Dihydrochloride

Database IDs

• PubChem SID: 162261042
• PubChem CID: 12333815

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.62665856
• LogD (pH = 7.4): 2.3821769
• Log P: 3.4862354
• Molar Refractivity: 85.2634 cm^3
• Polarizability: 33.394115 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - D417882

Labelled 1,4-Dibenzylpiperazine (D417880). 1,4-Dibenzylpiperazine is a common impurity produced as a reaction byproduct during the synthesis of Benzylpiperazine (BZP) (B288610). This product is intended for forensic applications.

REFERENCES

• Lanyi, K., et al.: Arzneim.-Forsch., 18, 1431 (1968)