4-[2-(piperidin-4-yl)ethyl]phenol

• ChemBase ID: 252792
• Molecular Formular: C13H19NO
• Molecular Mass: 205.29606
• Monoisotopic Mass: 205.14666423
• SMILES: N1CCC(CCc2ccc(cc2)O)CC1
• Canonical SMILES: Oc1ccc(cc1)CCC1CCNCC1
• InChI: InChI=1S/C13H19NO/c15-13-5-3-11(4-6-13)1-2-12-7-9-14-10-8-12/h3-6,12,14-15H,1-2,7-10H2
• InChIKey: XOEAPHOMOYPGTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(piperidin-4-yl)ethyl]phenol
• IUPAC Traditional name: 4-[2-(piperidin-4-yl)ethyl]phenol
• Synonyms: 4-(2-piperidin-4-ylethyl)phenol

Database IDs

• MDL Number: MFCD08691145
• PubChem SID: 164308702
• PubChem CID: 224026

CALCULATED PROPERTIES

• Acid pKa: 10.029048
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.56698453
• LogD (pH = 7.4): -0.09216562
• Log P: 2.0061426
• Molar Refractivity: 62.6619 cm^3
• Polarizability: 24.562006 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 182 - 184°C
• Hydrophobicity(logP): 2.734

Product Information

• Purity: 95%