3-(piperidin-1-yl)phenol hydrobromide

• ChemBase ID: 292527
• Molecular Formular: C11H16BrNO
• Molecular Mass: 258.15484
• Monoisotopic Mass: 257.04152614
• SMILES: Br.Oc1cc(ccc1)N1CCCCC1
• Canonical SMILES: Oc1cccc(c1)N1CCCCC1.Br
• InChI: InChI=1S/C11H15NO.BrH/c13-11-6-4-5-10(9-11)12-7-2-1-3-8-12;/h4-6,9,13H,1-3,7-8H2;1H
• InChIKey: HVYNSDOHBRMNGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(piperidin-1-yl)phenol hydrobromide
• IUPAC Traditional name: 3-(piperidin-1-yl)phenol hydrobromide
• Synonyms: 3-(Piperidin-1-yl)phenol hydrobromide

Database IDs

• CAS Number: 1071547-25-5
• PubChem SID: 180678058
• PubChem CID: 70701037

CALCULATED PROPERTIES

• Acid pKa: 9.772681
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.5833995
• LogD (pH = 7.4): 2.6256402
• Log P: 2.6280904
• Molar Refractivity: 54.6095 cm^3
• Polarizability: 20.554836 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%