(4-ethoxyphenyl)(piperidin-4-yl)methanol

• ChemBase ID: 34535
• Molecular Formular: C14H21NO2
• Molecular Mass: 235.32204
• Monoisotopic Mass: 235.15722892
• SMILES: N1CCC(CC1)C(c1ccc(cc1)OCC)O
• Canonical SMILES: CCOc1ccc(cc1)C(C1CCNCC1)O
• InChI: InChI=1S/C14H21NO2/c1-2-17-13-5-3-11(4-6-13)14(16)12-7-9-15-10-8-12/h3-6,12,14-16H,2,7-10H2,1H3
• InChIKey: AWTYXPOFKMCTJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-ethoxyphenyl)(piperidin-4-yl)methanol
• IUPAC Traditional name: (4-ethoxyphenyl)(piperidin-4-yl)methanol
• Synonyms: (4-Ethoxyphenyl)(piperidin-4-yl)methanol

Database IDs

• CAS Number: 889957-75-9
• MDL Number: MFCD06619039
• PubChem SID: 160997842
• PubChem CID: 2996870

CALCULATED PROPERTIES

• Acid pKa: 14.228159
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.651875
• LogD (pH = 7.4): -0.98052555
• Log P: 1.5691588
• Molar Refractivity: 68.7303 cm^3
• Polarizability: 27.15034 Å^3
• Polar Surface Area: 41.49 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false