phenyl(piperidin-2-yl)methanol

• ChemBase ID: 267106
• Molecular Formular: C12H17NO
• Molecular Mass: 191.26948
• Monoisotopic Mass: 191.13101417
• SMILES: N1C(C(c2ccccc2)O)CCCC1
• Canonical SMILES: OC(c1ccccc1)C1CCCCN1
• InChI: InChI=1S/C12H17NO/c14-12(10-6-2-1-3-7-10)11-8-4-5-9-13-11/h1-3,6-7,11-14H,4-5,8-9H2
• InChIKey: WZCPDFBYBSINPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: phenyl(piperidin-2-yl)methanol
• IUPAC Traditional name: α-(2-piperidyl)phenylcarbinol
• Synonyms: phenyl(piperidin-2-yl)methanol

Database IDs

• MDL Number: MFCD00033738
• PubChem SID: 164323016
• PubChem CID: 225581

CALCULATED PROPERTIES

• Acid pKa: 13.880123
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.3611233
• LogD (pH = 7.4): -0.26391578
• Log P: 1.8113929
• Molar Refractivity: 57.0807 cm^3
• Polarizability: 22.806503 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 136 - 138°C
• Hydrophobicity(logP): 1.83

Product Information

• Purity: 95%