4-(1-methylpiperidin-4-yl)phenol

• ChemBase ID: 308465
• Molecular Formular: C12H17NO
• Molecular Mass: 191.26948
• Monoisotopic Mass: 191.13101417
• SMILES: N1(CCC(c2ccc(cc2)O)CC1)C
• Canonical SMILES: CN1CCC(CC1)c1ccc(cc1)O
• InChI: InChI=1S/C12H17NO/c1-13-8-6-11(7-9-13)10-2-4-12(14)5-3-10/h2-5,11,14H,6-9H2,1H3
• InChIKey: QPKINSYKYPQLOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1-methylpiperidin-4-yl)phenol
• IUPAC Traditional name: 4-(1-methylpiperidin-4-yl)phenol
• Synonyms: 4-(1-methyl-4-piperidinyl)phenol

Database IDs

• MDL Number: MFCD09788298

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0861411
• LogD (pH = 7.4): 0.46199074
• Log P: 1.9124568
• Molar Refractivity: 58.7546 cm^3
• Polarizability: 22.71509 Å^3
• Polar Surface Area: 23.47 Å^2