1-(2-fluoro-5-methylphenyl)piperidin-4-amine dihydrochloride

• ChemBase ID: 248456
• Molecular Formular: C12H19Cl2FN2
• Molecular Mass: 281.1970632
• Monoisotopic Mass: 280.0909322
• SMILES: N1(c2c(ccc(c2)C)F)CCC(CC1)N.Cl.Cl
• Canonical SMILES: NC1CCN(CC1)c1cc(C)ccc1F.Cl.Cl
• InChI: InChI=1S/C12H17FN2.2ClH/c1-9-2-3-11(13)12(8-9)15-6-4-10(14)5-7-15;;/h2-3,8,10H,4-7,14H2,1H3;2*1H
• InChIKey: NQNPBBFVMUCCMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-fluoro-5-methylphenyl)piperidin-4-amine dihydrochloride
• IUPAC Traditional name: 1-(2-fluoro-5-methylphenyl)piperidin-4-amine dihydrochloride
• Synonyms: 1-(2-fluoro-5-methylphenyl)piperidin-4-amine dihydrochloride

Database IDs

• PubChem SID: 164304366
• PubChem CID: 71758502

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0708836
• LogD (pH = 7.4): -0.536694
• Log P: 1.9485908
• Molar Refractivity: 61.126 cm^3
• Polarizability: 22.887188 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.806

Product Information

• Purity: 95%