N-(4-fluorophenyl)piperidin-4-amine dihydrochloride

• ChemBase ID: 261152
• Molecular Formular: C11H17Cl2FN2
• Molecular Mass: 267.1704832
• Monoisotopic Mass: 266.07528213
• SMILES: N1CCC(Nc2ccc(F)cc2)CC1.Cl.Cl
• Canonical SMILES: Fc1ccc(cc1)NC1CCNCC1.Cl.Cl
• InChI: InChI=1S/C11H15FN2.2ClH/c12-9-1-3-10(4-2-9)14-11-5-7-13-8-6-11;;/h1-4,11,13-14H,5-8H2;2*1H
• InChIKey: USZJNIIDUJGFGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-fluorophenyl)piperidin-4-amine dihydrochloride
• IUPAC Traditional name: N-(4-fluorophenyl)piperidin-4-amine dihydrochloride
• Synonyms: N-(4-fluorophenyl)piperidin-4-amine dihydrochloride

Database IDs

• MDL Number: MFCD11052935
• PubChem SID: 164317062
• PubChem CID: 45156253

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.9921706
• LogD (pH = 7.4): -1.2631073
• Log P: 1.2324841
• Molar Refractivity: 56.6246 cm^3
• Polarizability: 21.123232 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 276 - 278°C
• Hydrophobicity(logP): 1.698

Product Information

• Purity: 95%