1-(2-fluorophenyl)piperidin-3-amine

• ChemBase ID: 244900
• Molecular Formular: C11H15FN2
• Molecular Mass: 194.2486032
• Monoisotopic Mass: 194.12192671
• SMILES: N1(c2c(F)cccc2)CC(N)CCC1
• Canonical SMILES: NC1CCCN(C1)c1ccccc1F
• InChI: InChI=1S/C11H15FN2/c12-10-5-1-2-6-11(10)14-7-3-4-9(13)8-14/h1-2,5-6,9H,3-4,7-8,13H2
• InChIKey: VMHIFSCPQPEEDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-fluorophenyl)piperidin-3-amine
• IUPAC Traditional name: 1-(2-fluorophenyl)piperidin-3-amine
• Synonyms: 1-(2-fluorophenyl)piperidin-3-amine

Database IDs

• MDL Number: MFCD16779245
• PubChem SID: 164300810
• PubChem CID: 62490360

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1208637
• LogD (pH = 7.4): -0.47121397
• Log P: 1.8925723
• Molar Refractivity: 55.864 cm^3
• Polarizability: 21.123728 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.038

Product Information

• Purity: 95%