2-(piperidin-1-yl)phenol

• ChemBase ID: 85467
• Molecular Formular: C11H15NO
• Molecular Mass: 177.2429
• Monoisotopic Mass: 177.11536411
• SMILES: N1(c2ccccc2O)CCCCC1
• Canonical SMILES: Oc1ccccc1N1CCCCC1
• InChI: InChI=1S/C11H15NO/c13-11-7-3-2-6-10(11)12-8-4-1-5-9-12/h2-3,6-7,13H,1,4-5,8-9H2
• InChIKey: OXELIFPFCCGAJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidin-1-yl)phenol
• IUPAC Traditional name: 2-(piperidin-1-yl)phenol
• Synonyms: 1-(2-Hydroxyphenyl)piperidine; 2-(1-Piperidino)phenol; 2-(1-Piperidinyl)phenol; 2-piperidinophenol; 2-(1-哌啶基)苯酚

Database IDs

• CAS Number: 65195-20-2
• MDL Number: MFCD00051687
• Beilstein Number: 151777
• PubChem SID: 162072583
• PubChem CID: 3262250

CALCULATED PROPERTIES

• Acid pKa: 10.208455
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.5914443
• LogD (pH = 7.4): 2.6267977
• Log P: 2.6280904
• Molar Refractivity: 54.6095 cm^3
• Polarizability: 20.555805 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 73-76°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 98%