4-(4-methoxyphenyl)piperidin-4-ol

• ChemBase ID: 35368
• Molecular Formular: C12H17NO2
• Molecular Mass: 207.26888
• Monoisotopic Mass: 207.12592879
• SMILES: C1(c2ccc(cc2)OC)(CCNCC1)O
• Canonical SMILES: COc1ccc(cc1)C1(O)CCNCC1
• InChI: InChI=1S/C12H17NO2/c1-15-11-4-2-10(3-5-11)12(14)6-8-13-9-7-12/h2-5,13-14H,6-9H2,1H3
• InChIKey: RGFHJSYBDBNFMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-methoxyphenyl)piperidin-4-ol
• IUPAC Traditional name: 4-(4-methoxyphenyl)piperidin-4-ol
• Synonyms: 4-(4-Methoxyphenyl)piperidin-4-ol

Database IDs

• CAS Number: 50329-87-8
• MDL Number: MFCD05237200
• PubChem SID: 160998675
• PubChem CID: 13250548

CALCULATED PROPERTIES

• Acid pKa: 14.007398
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.542608
• LogD (pH = 7.4): -1.3779188
• Log P: 0.6157517
• Molar Refractivity: 59.3831 cm^3
• Polarizability: 23.463242 Å^3
• Polar Surface Area: 41.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false