1-(2,2,2-trifluoroethyl)piperidin-4-ol

• ChemBase ID: 285838
• Molecular Formular: C7H12F3NO
• Molecular Mass: 183.1714896
• Monoisotopic Mass: 183.08709867
• SMILES: C(CN1CCC(CC1)O)(F)(F)F
• Canonical SMILES: OC1CCN(CC1)CC(F)(F)F
• InChI: InChI=1S/C7H12F3NO/c8-7(9,10)5-11-3-1-6(12)2-4-11/h6,12H,1-5H2
• InChIKey: YTMPTUHRRPDUAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,2,2-trifluoroethyl)piperidin-4-ol
• IUPAC Traditional name: 1-(2,2,2-trifluoroethyl)piperidin-4-ol
• Synonyms: 1-(2,2,2-trifluoroethyl)piperidin-4-ol

Database IDs

• MDL Number: MFCD12147930
• PubChem SID: 180671369
• PubChem CID: 43426278

CALCULATED PROPERTIES

• Acid pKa: 15.1792755
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.46239316
• LogD (pH = 7.4): 0.46331355
• Log P: 0.4633253
• Molar Refractivity: 39.1625 cm^3
• Polarizability: 14.511763 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.083

Product Information

• Purity: 95%