[1-(2-aminophenyl)piperidin-4-yl]methanol

• ChemBase ID: 238782
• Molecular Formular: C12H18N2O
• Molecular Mass: 206.28412
• Monoisotopic Mass: 206.14191321
• SMILES: N1(c2c(N)cccc2)CCC(CC1)CO
• Canonical SMILES: OCC1CCN(CC1)c1ccccc1N
• InChI: InChI=1S/C12H18N2O/c13-11-3-1-2-4-12(11)14-7-5-10(9-15)6-8-14/h1-4,10,15H,5-9,13H2
• InChIKey: SFRWPOIGYKNCAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(2-aminophenyl)piperidin-4-yl]methanol
• IUPAC Traditional name: [1-(2-aminophenyl)piperidin-4-yl]methanol
• Synonyms: [1-(2-aminophenyl)piperidin-4-yl]methanol

Database IDs

• MDL Number: MFCD11133016
• PubChem SID: 164294692
• PubChem CID: 43133156

CALCULATED PROPERTIES

• Acid pKa: 15.467152
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.86419994
• LogD (pH = 7.4): 1.0284694
• Log P: 1.0310241
• Molar Refractivity: 63.7293 cm^3
• Polarizability: 23.54859 Å^3
• Polar Surface Area: 49.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.285

Product Information

• Purity: 95%