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

• ChemBase ID: 20934
• Molecular Formular: C12H17ClFNO
• Molecular Mass: 245.7208832
• Monoisotopic Mass: 245.09827007
• SMILES: Cl.N1CCC(OCc2ccc(cc2)F)CC1
• Canonical SMILES: Fc1ccc(cc1)COC1CCNCC1.Cl
• InChI: InChI=1S/C12H16FNO.ClH/c13-11-3-1-10(2-4-11)9-15-12-5-7-14-8-6-12;/h1-4,12,14H,5-9H2;1H
• InChIKey: XRKHDSHUDCVEFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11506395
• PubChem SID: 160984241
• PubChem CID: 46735675

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

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false