4-(3-fluorophenoxy)piperidine

• ChemBase ID: 100111
• Molecular Formular: C11H14FNO
• Molecular Mass: 195.2333632
• Monoisotopic Mass: 195.10594229
• SMILES: N1CCC(CC1)Oc1cccc(c1)F
• Canonical SMILES: Fc1cccc(c1)OC1CCNCC1
• InChI: InChI=1S/C11H14FNO/c12-9-2-1-3-11(8-9)14-10-4-6-13-7-5-10/h1-3,8,10,13H,4-7H2
• InChIKey: ADUCMSHWWWCKEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3-fluorophenoxy)piperidine
• IUPAC Traditional name: 4-(3-fluorophenoxy)piperidine
• Synonyms: 4-(3-Fluorophenoxy)piperidine

Database IDs

• CAS Number: 3202-35-5
• MDL Number: MFCD06247708
• PubChem SID: 162086499
• PubChem CID: 18524002

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: 20.665356 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true