[4-(piperidin-1-yl)phenyl]methanol

• ChemBase ID: 101196
• Molecular Formular: C12H17NO
• Molecular Mass: 191.26948
• Monoisotopic Mass: 191.13101417
• SMILES: N1(c2ccc(cc2)CO)CCCCC1
• Canonical SMILES: OCc1ccc(cc1)N1CCCCC1
• InChI: InChI=1S/C12H17NO/c14-10-11-4-6-12(7-5-11)13-8-2-1-3-9-13/h4-7,14H,1-3,8-10H2
• InChIKey: VHEGGCAHSYQMSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(piperidin-1-yl)phenyl]methanol
• IUPAC Traditional name: [4-(piperidin-1-yl)phenyl]methanol
• Synonyms: (4-piperidinophenyl)methanol

Database IDs

• CAS Number: 677764-87-3
• MDL Number: MFCD05864822
• PubChem SID: 162087900
• PubChem CID: 4961265

CALCULATED PROPERTIES

• Acid pKa: 15.144579
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9321412
• LogD (pH = 7.4): 2.160457
• Log P: 2.164306
• Molar Refractivity: 59.4445 cm^3
• Polarizability: 22.408932 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%