3-[(4-fluorophenyl)methoxy]piperidine hydrochloride

• ChemBase ID: 47135
• Molecular Formular: C12H17ClFNO
• Molecular Mass: 245.7208832
• Monoisotopic Mass: 245.09827007
• SMILES: N1CC(OCc2ccc(F)cc2)CCC1.Cl
• Canonical SMILES: Fc1ccc(cc1)COC1CCCNC1.Cl
• InChI: InChI=1S/C12H16FNO.ClH/c13-11-5-3-10(4-6-11)9-15-12-2-1-7-14-8-12;/h3-6,12,14H,1-2,7-9H2;1H
• InChIKey: SYUAJBBFHSPWHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(4-fluorophenyl)methoxy]piperidine hydrochloride
• IUPAC Traditional name: 3-[(4-fluorophenyl)methoxy]piperidine hydrochloride
• Synonyms: 3-[(4-Fluorobenzyl)oxy]piperidine hydrochloride

Database IDs

• MDL Number: MFCD13561017
• PubChem SID: 162051898
• PubChem CID: 53409435

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0974799
• LogD (pH = 7.4): -0.10868718
• Log P: 2.0928855
• Molar Refractivity: 57.7771 cm^3
• Polarizability: 22.513802 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false