{1-[3-fluoro-4-(3-methylpiperidin-1-yl)phenyl]ethyl}(methyl)amine hydrochloride

• ChemBase ID: 55266
• Molecular Formular: C15H24ClFN2
• Molecular Mass: 286.8158632
• Monoisotopic Mass: 286.16120468
• SMILES: N1(c2c(cc(cc2)C(NC)C)F)CC(CCC1)C.Cl
• Canonical SMILES: CNC(c1ccc(c(c1)F)N1CCCC(C1)C)C.Cl
• InChI: InChI=1S/C15H23FN2.ClH/c1-11-5-4-8-18(10-11)15-7-6-13(9-14(15)16)12(2)17-3;/h6-7,9,11-12,17H,4-5,8,10H2,1-3H3;1H
• InChIKey: DYRMRBCBYQHDCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {1-[3-fluoro-4-(3-methylpiperidin-1-yl)phenyl]ethyl}(methyl)amine hydrochloride
• IUPAC Traditional name: {1-[3-fluoro-4-(3-methylpiperidin-1-yl)phenyl]ethyl}(methyl)amine hydrochloride
• Synonyms: {1-[3-Fluoro-4-(3-methylpiperidin-1-yl)phenyl]-ethyl}methylamine hydrochloride

Database IDs

• MDL Number: MFCD18071163
• PubChem SID: 162060029
• PubChem CID: 56773530

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.22715111
• LogD (pH = 7.4): 1.2384623
• Log P: 3.4142544
• Molar Refractivity: 74.9834 cm^3
• Polarizability: 28.4848 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false