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

• ChemBase ID: 47770
• Molecular Formular: C11H16N2O
• Molecular Mass: 192.25754
• Monoisotopic Mass: 192.12626314
• SMILES: N1(c2ccc(N)cc2)CCC(CC1)O
• Canonical SMILES: OC1CCN(CC1)c1ccc(cc1)N
• InChI: InChI=1S/C11H16N2O/c12-9-1-3-10(4-2-9)13-7-5-11(14)6-8-13/h1-4,11,14H,5-8,12H2
• InChIKey: BJXPIIDUCADEKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 142752-12-3
• MDL Number: MFCD09738905
• PubChem SID: 162052533
• PubChem CID: 16792107

CALCULATED PROPERTIES

• Acid pKa: 15.177862
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.65252244
• LogD (pH = 7.4): 0.49043024
• Log P: 0.5704233
• Molar Refractivity: 58.9113 cm^3
• Polarizability: 21.704063 Å^3
• Polar Surface Area: 49.49 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 171 - 173°C
• Hydrophobicity(logP): 0.186

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 97%