4-[(2-fluorophenyl)methoxy]piperidine hydrochloride

• ChemBase ID: 47119
• Molecular Formular: C12H17ClFNO
• Molecular Mass: 245.7208832
• Monoisotopic Mass: 245.09827007
• SMILES: c1(c(F)cccc1)COC1CCNCC1.Cl
• Canonical SMILES: Fc1ccccc1COC1CCNCC1.Cl
• InChI: InChI=1S/C12H16FNO.ClH/c13-12-4-2-1-3-10(12)9-15-11-5-7-14-8-6-11;/h1-4,11,14H,5-9H2;1H
• InChIKey: IISABZVSZLCVGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(2-fluorophenyl)methoxy]piperidine hydrochloride
• IUPAC Traditional name: 4-[(2-fluorophenyl)methoxy]piperidine hydrochloride
• Synonyms: 4-[(2-Fluorobenzyl)oxy]piperidine hydrochloride; 4-[(2-fluorophenyl)methoxy]piperidine hydrochloride

Database IDs

• MDL Number: MFCD13561002
• PubChem SID: 162051882
• PubChem CID: 22248241

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: 22.513607 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

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%