4-[(4-fluorophenyl)methoxy]piperidine

• ChemBase ID: 245966
• Molecular Formular: C12H16FNO
• Molecular Mass: 209.2599432
• Monoisotopic Mass: 209.12159236
• SMILES: N1CCC(OCc2ccc(F)cc2)CC1
• Canonical SMILES: Fc1ccc(cc1)COC1CCNCC1
• InChI: InChI=1S/C12H16FNO/c13-11-3-1-10(2-4-11)9-15-12-5-7-14-8-6-12/h1-4,12,14H,5-9H2
• InChIKey: HKWRVHLLZSIWAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(4-fluorophenyl)methoxy]piperidine
• IUPAC Traditional name: 4-[(4-fluorophenyl)methoxy]piperidine
• Synonyms: 4-[(4-fluorophenyl)methoxy]piperidine

Database IDs

• MDL Number: MFCD08687808
• PubChem SID: 164301876
• PubChem CID: 13477827

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5844512
• LogD (pH = 7.4): -0.89602816
• Log P: 1.6354827
• Molar Refractivity: 57.9979 cm^3
• Polarizability: 22.513802 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.555

Product Information

• Purity: 95%