1-[(4-fluorophenyl)methyl]piperidin-4-amine dihydrochloride

• ChemBase ID: 124347
• Molecular Formular: C12H19Cl2FN2
• Molecular Mass: 281.1970632
• Monoisotopic Mass: 280.0909322
• SMILES: N1(Cc2ccc(F)cc2)CCC(CC1)N.Cl.Cl
• Canonical SMILES: NC1CCN(CC1)Cc1ccc(cc1)F.Cl.Cl
• InChI: InChI=1S/C12H17FN2.2ClH/c13-11-3-1-10(2-4-11)9-15-7-5-12(14)6-8-15;;/h1-4,12H,5-9,14H2;2*1H
• InChIKey: KJTLBCDHACBCPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(4-fluorophenyl)methyl]piperidin-4-amine dihydrochloride
• IUPAC Traditional name: 1-[(4-fluorophenyl)methyl]piperidin-4-amine dihydrochloride
• Synonyms: 1-(4-fluorobenzyl)piperidin-4-amine dihydrochloride

Database IDs

• PubChem SID: 162218700
• PubChem CID: 45156976

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.484608
• LogD (pH = 7.4): -1.6619072
• Log P: 1.2685223
• Molar Refractivity: 60.1989 cm^3
• Polarizability: 23.346273 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: 2 HCl