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

• ChemBase ID: 91197
• Molecular Formular: C13H19NO
• Molecular Mass: 205.29606
• Monoisotopic Mass: 205.14666423
• SMILES: N1(CCCCC1)Cc1ccc(cc1)CO
• Canonical SMILES: OCc1ccc(cc1)CN1CCCCC1
• InChI: InChI=1S/C13H19NO/c15-11-13-6-4-12(5-7-13)10-14-8-2-1-3-9-14/h4-7,15H,1-3,8-11H2
• InChIKey: SQWKPHFBCVNPGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(piperidin-1-ylmethyl)phenyl]methanol
• IUPAC Traditional name: [4-(piperidin-1-ylmethyl)phenyl]methanol
• Synonyms: [4-(Piperidin-1-ylmethyl)phenyl]methanol; 4-[(Piperidin-1-yl)methyl]benzyl alcohol 95%; [4-(piperidin-1-ylmethyl)phenyl]methanol

Database IDs

• CAS Number: 91271-62-4
• MDL Number: MFCD07772863
• PubChem SID: 162077901
• PubChem CID: 7162041

CALCULATED PROPERTIES

• Acid pKa: 15.004934
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2957574
• LogD (pH = 7.4): 0.1870221
• Log P: 1.997659
• Molar Refractivity: 63.5586 cm^3
• Polarizability: 24.648054 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 95%