4-(piperidin-4-yl)phenol

• ChemBase ID: 253269
• Molecular Formular: C11H15NO
• Molecular Mass: 177.2429
• Monoisotopic Mass: 177.11536411
• SMILES: N1CCC(c2ccc(cc2)O)CC1
• Canonical SMILES: Oc1ccc(cc1)C1CCNCC1
• InChI: InChI=1S/C11H15NO/c13-11-3-1-9(2-4-11)10-5-7-12-8-6-10/h1-4,10,12-13H,5-8H2
• InChIKey: ZDEWVCFSCQUKTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(piperidin-4-yl)phenol
• IUPAC Traditional name: 4-(piperidin-4-yl)phenol
• Synonyms: 4-piperidin-4-ylphenol

Database IDs

• CAS Number: 62614-84-0
• MDL Number: MFCD08444690
• PubChem SID: 164309179
• PubChem CID: 10511511

CALCULATED PROPERTIES

• Acid pKa: 10.494079
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.4472084
• LogD (pH = 7.4): -0.79121345
• Log P: 1.2455438
• Molar Refractivity: 53.4599 cm^3
• Polarizability: 20.869549 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 227 - 229°C
• Hydrophobicity(logP): 1.676

Product Information

• Purity: 95%