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

• ChemBase ID: 34548
• Molecular Formular: C11H15FN2
• Molecular Mass: 194.2486032
• Monoisotopic Mass: 194.12192671
• SMILES: N1CCC(CC1)Nc1ccc(cc1)F
• Canonical SMILES: Fc1ccc(cc1)NC1CCNCC1
• InChI: InChI=1S/C11H15FN2/c12-9-1-3-10(4-2-9)14-11-5-7-13-8-6-11/h1-4,11,13-14H,5-8H2
• InChIKey: ZSYRYBOMHWXRDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD06619353
• PubChem SID: 160997855
• PubChem CID: 4778193

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

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false