2-(piperidine-1-carbonyl)phenol

• ChemBase ID: 231898
• Molecular Formular: C12H15NO2
• Molecular Mass: 205.253
• Monoisotopic Mass: 205.11027873
• SMILES: C(=O)(c1c(O)cccc1)N1CCCCC1
• Canonical SMILES: Oc1ccccc1C(=O)N1CCCCC1
• InChI: InChI=1S/C12H15NO2/c14-11-7-3-2-6-10(11)12(15)13-8-4-1-5-9-13/h2-3,6-7,14H,1,4-5,8-9H2
• InChIKey: PRRBIQSVUGRKOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidine-1-carbonyl)phenol
• IUPAC Traditional name: 2-(piperidine-1-carbonyl)phenol
• Synonyms: (2-Hydroxy-phenyl)-piperidin-1-yl-methanone

Database IDs

• CAS Number: 2890-83-7
• MDL Number: MFCD00819709
• PubChem SID: 164287808
• PubChem CID: 225363

CALCULATED PROPERTIES

• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 8.176178
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.467131
• LogD (pH = 7.4): 2.4013317
• Log P: 2.468039
• Molar Refractivity: 59.0527 cm^3
• Polarizability: 22.244572 Å^3
• Polar Surface Area: 40.54 Å^2

PROPERTIES

Physical Property

• Melting Point: 133 - 135°C
• Hydrophobicity(logP): 1.674

Product Information

• Purity: 95%