1-[(2-fluorophenyl)methyl]piperidin-4-amine

• ChemBase ID: 260512
• Molecular Formular: C12H17FN2
• Molecular Mass: 208.2751832
• Monoisotopic Mass: 208.13757677
• SMILES: N1(Cc2c(F)cccc2)CCC(CC1)N
• Canonical SMILES: NC1CCN(CC1)Cc1ccccc1F
• InChI: InChI=1S/C12H17FN2/c13-12-4-2-1-3-10(12)9-15-7-5-11(14)6-8-15/h1-4,11H,5-9,14H2
• InChIKey: BOFKUKJMMWHACT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(2-fluorophenyl)methyl]piperidin-4-amine
• IUPAC Traditional name: 1-[(2-fluorophenyl)methyl]piperidin-4-amine
• Synonyms: 1-(2-fluorobenzyl)-4-piperidinamine; 1-[(2-fluorophenyl)methyl]piperidin-4-amine

Database IDs

• CAS Number: 160358-06-5
• MDL Number: MFCD07365306
• PubChem SID: 164316422
• PubChem CID: 17221620

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.3045623
• LogD (pH = 7.4): -1.5954629
• Log P: 1.2685223
• Molar Refractivity: 60.1989 cm^3
• Polarizability: 23.346125 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.325

Product Information

• Purity: 95%