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

• ChemBase ID: 265444
• Molecular Formular: C12H17FN2
• Molecular Mass: 208.2751832
• Monoisotopic Mass: 208.13757677
• SMILES: N1(CCC(Nc2cc(F)ccc2)CC1)C
• Canonical SMILES: CN1CCC(CC1)Nc1cccc(c1)F
• InChI: InChI=1S/C12H17FN2/c1-15-7-5-11(6-8-15)14-12-4-2-3-10(13)9-12/h2-4,9,11,14H,5-8H2,1H3
• InChIKey: BUSCXLDJLMSROU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD01308766
• PubChem SID: 164321354
• PubChem CID: 868430

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4859309
• LogD (pH = 7.4): 0.18205032
• Log P: 1.615532
• Molar Refractivity: 61.9193 cm^3
• Polarizability: 22.963825 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.144

Product Information

• Purity: 95%