1-phenylpiperidin-4-ol

• ChemBase ID: 88699
• Molecular Formular: C11H15NO
• Molecular Mass: 177.2429
• Monoisotopic Mass: 177.11536411
• SMILES: N1(c2ccccc2)CCC(CC1)O
• Canonical SMILES: OC1CCN(CC1)c1ccccc1
• InChI: InChI=1S/C11H15NO/c13-11-6-8-12(9-7-11)10-4-2-1-3-5-10/h1-5,11,13H,6-9H2
• InChIKey: FMHLUYMKOSEANZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-phenylpiperidin-4-ol
• IUPAC Traditional name: 1-phenylpiperidin-4-ol
• Synonyms: 1-Phenylpiperidin-4-ol 98%

Database IDs

• CAS Number: 117896-69-2
• MDL Number: MFCD02093533
• PubChem SID: 162075620
• PubChem CID: 2737154

CALCULATED PROPERTIES

• Acid pKa: 15.177862
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2865998
• LogD (pH = 7.4): 1.3977312
• Log P: 1.3993492
• Molar Refractivity: 54.2109 cm^3
• Polarizability: 20.570967 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant