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

• ChemBase ID: 101200
• Molecular Formular: C12H17NO
• Molecular Mass: 191.26948
• Monoisotopic Mass: 191.13101417
• SMILES: N1(c2cc(CO)ccc2)CCCCC1
• Canonical SMILES: OCc1cccc(c1)N1CCCCC1
• InChI: InChI=1S/C12H17NO/c14-10-11-5-4-6-12(9-11)13-7-2-1-3-8-13/h4-6,9,14H,1-3,7-8,10H2
• InChIKey: HNESBVGXCDQHLJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(piperidin-1-yl)phenyl]methanol
• IUPAC Traditional name: [3-(piperidin-1-yl)phenyl]methanol
• Synonyms: (3-piperidinophenyl)methanol

Database IDs

• CAS Number: 852180-58-6
• MDL Number: MFCD07772816
• PubChem SID: 162086733
• PubChem CID: 7162330

CALCULATED PROPERTIES

• Acid pKa: 15.10175
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9782528
• LogD (pH = 7.4): 2.1613905
• Log P: 2.164306
• Molar Refractivity: 59.4445 cm^3
• Polarizability: 22.40898 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%