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

• ChemBase ID: 24789
• Molecular Formular: C12H17FN2
• Molecular Mass: 208.2751832
• Monoisotopic Mass: 208.13757677
• SMILES: N1(Cc2ccc(F)cc2)CCC(CC1)N
• Canonical SMILES: NC1CCN(CC1)Cc1ccc(cc1)F
• InChI: InChI=1S/C12H17FN2/c13-11-3-1-10(2-4-11)9-15-7-5-12(14)6-8-15/h1-4,12H,5-9,14H2
• InChIKey: KRIHULMCWJRKQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 92539-14-5
• MDL Number: MFCD07365305
• PubChem SID: 160988096
• PubChem CID: 15132433

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.484608
• LogD (pH = 7.4): -1.6619072
• Log P: 1.2685223
• Molar Refractivity: 60.1989 cm^3
• Polarizability: 23.346273 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

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%