1-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine dihydrochloride

• ChemBase ID: 256371
• Molecular Formular: C14H20Cl2N4O
• Molecular Mass: 331.2408
• Monoisotopic Mass: 330.10141664
• SMILES: n1c(onc1c1ccccc1)C(N1CCNCC1)C.Cl.Cl
• Canonical SMILES: CC(c1onc(n1)c1ccccc1)N1CCNCC1.Cl.Cl
• InChI: InChI=1S/C14H18N4O.2ClH/c1-11(18-9-7-15-8-10-18)14-16-13(17-19-14)12-5-3-2-4-6-12;;/h2-6,11,15H,7-10H2,1H3;2*1H
• InChIKey: VVRSYAOCIXIYPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine dihydrochloride
• IUPAC Traditional name: 1-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine dihydrochloride
• Synonyms: 1-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine dihydrochloride

Database IDs

• MDL Number: MFCD10686870
• PubChem SID: 164312281
• PubChem CID: 43810634

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.0209503
• LogD (pH = 7.4): 0.38134858
• Log P: 2.1912246
• Molar Refractivity: 85.2042 cm^3
• Polarizability: 29.087374 Å^3
• Polar Surface Area: 54.19 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.634

Product Information

• Purity: 95%