1-(2-fluorophenyl)piperidin-4-amine

• ChemBase ID: 247984
• Molecular Formular: C11H15FN2
• Molecular Mass: 194.2486032
• Monoisotopic Mass: 194.12192671
• SMILES: N1(c2c(F)cccc2)CCC(CC1)N
• Canonical SMILES: NC1CCN(CC1)c1ccccc1F
• InChI: InChI=1S/C11H15FN2/c12-10-3-1-2-4-11(10)14-7-5-9(13)6-8-14/h1-4,9H,5-8,13H2
• InChIKey: YKSBVTHTVHRBIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-fluorophenyl)piperidin-4-amine
• IUPAC Traditional name: 1-(2-fluorophenyl)piperidin-4-amine
• Synonyms: 1-(2-fluorophenyl)piperidin-4-amine

Database IDs

• CAS Number: 494861-66-4
• MDL Number: MFCD08059819
• PubChem SID: 164303894
• PubChem CID: 20610091

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5843022
• LogD (pH = 7.4): -1.0501153
• Log P: 1.4351695
• Molar Refractivity: 56.0848 cm^3
• Polarizability: 21.123793 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.307

Product Information

• Purity: 95%