1-(2-aminophenyl)piperidin-4-ol

• ChemBase ID: 47594
• Molecular Formular: C11H16N2O
• Molecular Mass: 192.25754
• Monoisotopic Mass: 192.12626314
• SMILES: N1(c2c(N)cccc2)CCC(CC1)O
• Canonical SMILES: OC1CCN(CC1)c1ccccc1N
• InChI: InChI=1S/C11H16N2O/c12-10-3-1-2-4-11(10)13-7-5-9(14)6-8-13/h1-4,9,14H,5-8,12H2
• InChIKey: KHXSBUSJNPXVGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-aminophenyl)piperidin-4-ol
• IUPAC Traditional name: 1-(2-aminophenyl)piperidin-4-ol
• Synonyms: 1-(2-Aminophenyl)-4-piperidinol; 1-(2-aminophenyl)piperidin-4-ol

Database IDs

• CAS Number: 252758-96-6
• MDL Number: MFCD09734091
• PubChem SID: 162052357
• PubChem CID: 16787333

CALCULATED PROPERTIES

• Acid pKa: 15.17786
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.5027326
• LogD (pH = 7.4): 0.5695018
• Log P: 0.5704233
• Molar Refractivity: 58.9113 cm^3
• Polarizability: 21.705696 Å^3
• Polar Surface Area: 49.49 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 117 - 119°C
• Hydrophobicity(logP): -0.334

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%