1-phenylpiperidin-3-ol

• ChemBase ID: 289974
• Molecular Formular: C11H15NO
• Molecular Mass: 177.2429
• Monoisotopic Mass: 177.11536411
• SMILES: OC1CN(c2ccccc2)CCC1
• Canonical SMILES: OC1CCCN(C1)c1ccccc1
• InChI: InChI=1S/C11H15NO/c13-11-7-4-8-12(9-11)10-5-2-1-3-6-10/h1-3,5-6,11,13H,4,7-9H2
• InChIKey: VPUSWNUKNDRGNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-phenylpiperidin-3-ol
• IUPAC Traditional name: 1-phenylpiperidin-3-ol
• Synonyms: 1-Phenylpiperidin-3-ol

Database IDs

• CAS Number: 80710-25-4
• PubChem SID: 180675505
• PubChem CID: 12868314

CALCULATED PROPERTIES

• Acid pKa: 14.872474
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8526291
• LogD (pH = 7.4): 1.8567001
• Log P: 1.8567522
• Molar Refractivity: 53.9901 cm^3
• Polarizability: 20.570858 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%