4-(4-fluorophenoxy)piperidine

• ChemBase ID: 275546
• Molecular Formular: C11H14FNO
• Molecular Mass: 195.2333632
• Monoisotopic Mass: 195.10594229
• SMILES: N1CCC(Oc2ccc(F)cc2)CC1
• Canonical SMILES: Fc1ccc(cc1)OC1CCNCC1
• InChI: InChI=1S/C11H14FNO/c12-9-1-3-10(4-2-9)14-11-5-7-13-8-6-11/h1-4,11,13H,5-8H2
• InChIKey: QUPXFCLFBNUVGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-fluorophenoxy)piperidine
• IUPAC Traditional name: 4-(4-fluorophenoxy)piperidine
• Synonyms: 4-(4-fluorophenoxy)piperidine

Database IDs

• CAS Number: 3413-28-3
• MDL Number: MFCD04115015
• PubChem SID: 164331456
• PubChem CID: 3734896

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6053641
• LogD (pH = 7.4): -0.76104546
• Log P: 1.6020347
• Molar Refractivity: 52.894 cm^3
• Polarizability: 20.665182 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.956

Product Information

• Purity: 95%; 98%