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

• ChemBase ID: 22050
• Molecular Formular: C11H16ClFN2
• Molecular Mass: 230.7095432
• Monoisotopic Mass: 230.09860442
• SMILES: Cl.c1c(cc(c(c1)N1CCCCC1)N)F
• Canonical SMILES: Fc1ccc(c(c1)N)N1CCCCC1.Cl
• InChI: InChI=1S/C11H15FN2.ClH/c12-9-4-5-11(10(13)8-9)14-6-2-1-3-7-14;/h4-5,8H,1-3,6-7,13H2;1H
• InChIKey: SJUMOTCNMGDKAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD08692443
• PubChem SID: 160985357
• PubChem CID: 44717563

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

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false