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

• ChemBase ID: 306511
• Molecular Formular: C13H19NO
• Molecular Mass: 205.29606
• Monoisotopic Mass: 205.14666423
• SMILES: N1(Cc2c(CO)cccc2)CCCCC1
• Canonical SMILES: OCc1ccccc1CN1CCCCC1
• InChI: InChI=1S/C13H19NO/c15-11-13-7-3-2-6-12(13)10-14-8-4-1-5-9-14/h2-3,6-7,15H,1,4-5,8-11H2
• InChIKey: KZSCBYKUUQJGNN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(piperidin-1-ylmethyl)phenyl]methanol
• IUPAC Traditional name: [2-(piperidin-1-ylmethyl)phenyl]methanol
• Synonyms: [2-(piperidin-1-ylmethyl)phenyl]methanol

Database IDs

• CAS Number: 91271-61-3
• MDL Number: MFCD03211254

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1731344
• LogD (pH = 7.4): 0.4463352
• Log P: 1.997659
• Molar Refractivity: 63.5586 cm^3
• Polarizability: 24.648058 Å^3
• Polar Surface Area: 23.47 Å^2