4-(piperidine-1-carbonyl)phenol

• ChemBase ID: 113303
• Molecular Formular: C12H15NO2
• Molecular Mass: 205.253
• Monoisotopic Mass: 205.11027873
• SMILES: C(=O)(N1CCCCC1)c1ccc(cc1)O
• Canonical SMILES: O=C(c1ccc(cc1)O)N1CCCCC1
• InChI: InChI=1S/C12H15NO2/c14-11-6-4-10(5-7-11)12(15)13-8-2-1-3-9-13/h4-7,14H,1-3,8-9H2
• InChIKey: FDVQVSBSVYYHHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(piperidine-1-carbonyl)phenol
• IUPAC Traditional name: 4-(piperidine-1-carbonyl)phenol
• Synonyms: 4-(piperidin-1-ylcarbonyl)phenol

Database IDs

• MDL Number: MFCD01017284
• PubChem SID: 162100154
• PubChem CID: 950336

CALCULATED PROPERTIES

• Acid pKa: 8.462172
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8175671
• LogD (pH = 7.4): 1.7821864
• Log P: 1.8180391
• Molar Refractivity: 59.0527 cm^3
• Polarizability: 22.241922 Å^3
• Polar Surface Area: 40.54 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 2.068

Product Information

• Purity: 95+%