5-fluoro-2-(piperidin-1-yl)aniline

• ChemBase ID: 18677
• Molecular Formular: C11H15FN2
• Molecular Mass: 194.2486032
• Monoisotopic Mass: 194.12192671
• SMILES: c1(N2CCCCC2)c(cc(cc1)F)N
• Canonical SMILES: Fc1ccc(c(c1)N)N1CCCCC1
• InChI: InChI=1S/C11H15FN2/c12-9-4-5-11(10(13)8-9)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7,13H2
• InChIKey: CCSBEAVDBGCSOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-2-(piperidin-1-yl)aniline
• IUPAC Traditional name: 5-fluoro-2-(piperidin-1-yl)aniline
• Synonyms: 5-Fluoro-2-piperidin-1-yl-phenylamine; 5-fluoro-2-(piperidin-1-yl)aniline

Database IDs

• MDL Number: MFCD04971023
• PubChem SID: 160981984
• PubChem CID: 6485403

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1984258
• LogD (pH = 7.4): 2.2448072
• Log P: 2.245432
• Molar Refractivity: 57.5454 cm^3
• Polarizability: 20.74169 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.227

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%