3-fluoro-4-(piperidin-1-yl)aniline hydrochloride

• ChemBase ID: 124008
• Molecular Formular: C11H16ClFN2
• Molecular Mass: 230.7095432
• Monoisotopic Mass: 230.09860442
• SMILES: c1(N2CCCCC2)c(cc(cc1)N)F.Cl
• Canonical SMILES: Nc1ccc(c(c1)F)N1CCCCC1.Cl
• InChI: InChI=1S/C11H15FN2.ClH/c12-10-8-9(13)4-5-11(10)14-6-2-1-3-7-14;/h4-5,8H,1-3,6-7,13H2;1H
• InChIKey: GIPZVFWQPHQVSP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoro-4-(piperidin-1-yl)aniline hydrochloride
• IUPAC Traditional name: 3-fluoro-4-(piperidin-1-yl)aniline hydrochloride
• Synonyms: 3-fluoro-4-(piperidin-1-yl)aniline hydrochloride

Database IDs

• PubChem SID: 162218361
• PubChem CID: 51051933

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1454043
• LogD (pH = 7.4): 2.244016
• Log P: 2.245432
• Molar Refractivity: 57.5454 cm^3
• Polarizability: 20.74124 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl