1-(3-fluorophenyl)-N-methylpiperidin-4-amine

• ChemBase ID: 284311
• Molecular Formular: C12H17FN2
• Molecular Mass: 208.2751832
• Monoisotopic Mass: 208.13757677
• SMILES: N1(c2cc(F)ccc2)CCC(CC1)NC
• Canonical SMILES: CNC1CCN(CC1)c1cccc(c1)F
• InChI: InChI=1S/C12H17FN2/c1-14-11-5-7-15(8-6-11)12-4-2-3-10(13)9-12/h2-4,9,11,14H,5-8H2,1H3
• InChIKey: GNDRPUJYVZLJFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-fluorophenyl)-N-methylpiperidin-4-amine
• IUPAC Traditional name: 1-(3-fluorophenyl)-N-methylpiperidin-4-amine
• Synonyms: 1-(3-fluorophenyl)-N-methylpiperidin-4-amine

Database IDs

• MDL Number: MFCD11640579
• PubChem SID: 180669842
• PubChem CID: 43314888

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3633472
• LogD (pH = 7.4): -0.8902192
• Log P: 1.8677498
• Molar Refractivity: 60.8594 cm^3
• Polarizability: 22.96309 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.453

Product Information

• Purity: 95%