1-[2-(4-fluorophenoxy)ethyl]piperazine dihydrochloride

• ChemBase ID: 124891
• Molecular Formular: C12H19Cl2FN2O
• Molecular Mass: 297.1964632
• Monoisotopic Mass: 296.08584682
• SMILES: N1(CCOc2ccc(F)cc2)CCNCC1.Cl.Cl
• Canonical SMILES: Fc1ccc(cc1)OCCN1CCNCC1.Cl.Cl
• InChI: InChI=1S/C12H17FN2O.2ClH/c13-11-1-3-12(4-2-11)16-10-9-15-7-5-14-6-8-15;;/h1-4,14H,5-10H2;2*1H
• InChIKey: AGSWJEMLWPDFIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(4-fluorophenoxy)ethyl]piperazine dihydrochloride
• IUPAC Traditional name: 1-[2-(4-fluorophenoxy)ethyl]piperazine dihydrochloride
• Synonyms: 1-(2-(4-fluorophenoxy)ethyl)piperazine dihydrochloride

Database IDs

• PubChem SID: 162219244
• PubChem CID: 52997051

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7167665
• LogD (pH = 7.4): -0.39068893
• Log P: 1.4409926
• Molar Refractivity: 61.5121 cm^3
• Polarizability: 24.031975 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: 2 HCl