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

• ChemBase ID: 43641
• Molecular Formular: C12H17NO
• Molecular Mass: 191.26948
• Monoisotopic Mass: 191.13101417
• SMILES: N1(c2c(CO)cccc2)CCCCC1
• Canonical SMILES: OCc1ccccc1N1CCCCC1
• InChI: InChI=1S/C12H17NO/c14-10-11-6-2-3-7-12(11)13-8-4-1-5-9-13/h2-3,6-7,14H,1,4-5,8-10H2
• InChIKey: XWFXVEQCVPXALT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 87066-94-2
• MDL Number: MFCD05864821
• PubChem SID: 162048404
• PubChem CID: 13021767

CALCULATED PROPERTIES

• Acid pKa: 14.967798
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.127898
• LogD (pH = 7.4): 2.1638281
• Log P: 2.164306
• Molar Refractivity: 59.4445 cm^3
• Polarizability: 22.409306 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: Oil
• Hydrophobicity(logP): 1.942

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95%