1-(3-aminophenyl)piperidin-4-ol

• ChemBase ID: 270423
• Molecular Formular: C11H16N2O
• Molecular Mass: 192.25754
• Monoisotopic Mass: 192.12626314
• SMILES: N1(c2cc(N)ccc2)CCC(CC1)O
• Canonical SMILES: OC1CCN(CC1)c1cccc(c1)N
• InChI: InChI=1S/C11H16N2O/c12-9-2-1-3-10(8-9)13-6-4-11(14)5-7-13/h1-3,8,11,14H,4-7,12H2
• InChIKey: ZIYSSWGWBNTKFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-aminophenyl)piperidin-4-ol
• IUPAC Traditional name: 1-(3-aminophenyl)piperidin-4-ol
• Synonyms: 1-(3-aminophenyl)piperidin-4-ol

Database IDs

• MDL Number: MFCD11101543
• PubChem SID: 164326333
• PubChem CID: 43132683

CALCULATED PROPERTIES

• Acid pKa: 15.177862
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.30264452
• LogD (pH = 7.4): 0.56577843
• Log P: 0.5704233
• Molar Refractivity: 58.9113 cm^3
• Polarizability: 21.705542 Å^3
• Polar Surface Area: 49.49 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.334

Product Information

• Purity: 95%