1-[2-(diphenylmethoxy)ethyl]piperazine dihydrochloride

• ChemBase ID: 13295
• Molecular Formular: C19H26Cl2N2O
• Molecular Mass: 369.32854
• Monoisotopic Mass: 368.14221882
• SMILES: C1N(CCNC1)CCOC(c1ccccc1)c1ccccc1.Cl.Cl
• Canonical SMILES: N1CCN(CC1)CCOC(c1ccccc1)c1ccccc1.Cl.Cl
• InChI: InChI=1S/C19H24N2O.2ClH/c1-3-7-17(8-4-1)19(18-9-5-2-6-10-18)22-16-15-21-13-11-20-12-14-21;;/h1-10,19-20H,11-16H2;2*1H
• InChIKey: VDJUXUYFKDDRDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(diphenylmethoxy)ethyl]piperazine dihydrochloride
• IUPAC Traditional name: 1-[2-(diphenylmethoxy)ethyl]piperazine dihydrochloride
• Synonyms: 1-[2-(diphenylmethoxy)ethyl]piperazine dihydrochloride; 1-(2-Benzhydryloxy-ethyl)-piperazine dihydrochloride

Database IDs

• MDL Number: MFCD01455758
• PubChem SID: 160976602
• PubChem CID: 20207184

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.054247633
• LogD (pH = 7.4): 1.2756842
• Log P: 3.115979
• Molar Refractivity: 90.6824 cm^3
• Polarizability: 35.87495 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.48

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%