1-(2-fluoroethyl)piperidin-4-ol

• ChemBase ID: 96851
• Molecular Formular: C7H14FNO
• Molecular Mass: 147.1905632
• Monoisotopic Mass: 147.10594229
• SMILES: N1(CCF)CCC(CC1)O
• Canonical SMILES: FCCN1CCC(CC1)O
• InChI: InChI=1S/C7H14FNO/c8-3-6-9-4-1-7(10)2-5-9/h7,10H,1-6H2
• InChIKey: YUPRNALANWTJTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-fluoroethyl)piperidin-4-ol
• IUPAC Traditional name: 1-(2-fluoroethyl)piperidin-4-ol
• Synonyms: 1-(2-Fluoroethyl)piperidin-4-ol; 1-(2-Fluoroethyl)-4-hydroxypiperidine; 1-(2-Fluoro-ethyl)-piperidin-4-ol

Database IDs

• CAS Number: 42383-05-1; 492446-45-4
• MDL Number: MFCD09751123
• PubChem SID: 162083495
• PubChem CID: 40566262

CALCULATED PROPERTIES

• Acid pKa: 15.179285
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.3719697
• LogD (pH = 7.4): -0.6995826
• Log P: -0.29078117
• Molar Refractivity: 38.3126 cm^3
• Polarizability: 14.766663 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 96%