N-(2-fluorophenyl)piperidin-4-amine

• ChemBase ID: 279363
• Molecular Formular: C11H15FN2
• Molecular Mass: 194.2486032
• Monoisotopic Mass: 194.12192671
• SMILES: N(c1c(F)cccc1)C1CCNCC1
• Canonical SMILES: Fc1ccccc1NC1CCNCC1
• InChI: InChI=1S/C11H15FN2/c12-10-3-1-2-4-11(10)14-9-5-7-13-8-6-9/h1-4,9,13-14H,5-8H2
• InChIKey: QPTMDHYTCLTFRI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-fluorophenyl)piperidin-4-amine
• IUPAC Traditional name: N-(2-fluorophenyl)piperidin-4-amine
• Synonyms: N-(2-fluorophenyl)piperidin-4-amine

Database IDs

• MDL Number: MFCD06740640
• PubChem SID: 164335273
• PubChem CID: 4778194

CALCULATED PROPERTIES

• Acid pKa: 16.660618
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.9853173
• LogD (pH = 7.4): -1.2630193
• Log P: 1.2324841
• Molar Refractivity: 56.6246 cm^3
• Polarizability: 21.12454 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 46 - 48°C
• Hydrophobicity(logP): 1.698

Product Information

• Purity: 95%