4-(2-phenylethoxy)piperidine hydrochloride

• ChemBase ID: 264780
• Molecular Formular: C13H20ClNO
• Molecular Mass: 241.757
• Monoisotopic Mass: 241.12334195
• SMILES: N1CCC(CC1)OCCc1ccccc1.Cl
• Canonical SMILES: N1CCC(CC1)OCCc1ccccc1.Cl
• InChI: InChI=1S/C13H19NO.ClH/c1-2-4-12(5-3-1)8-11-15-13-6-9-14-10-7-13;/h1-5,13-14H,6-11H2;1H
• InChIKey: GTZQOXOOPIVUKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-phenylethoxy)piperidine hydrochloride
• IUPAC Traditional name: 4-(2-phenylethoxy)piperidine hydrochloride
• Synonyms: 4-(2-phenylethoxy)piperidine hydrochloride

Database IDs

• MDL Number: MFCD14705633
• PubChem SID: 164320690
• PubChem CID: 47002283

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.438493
• LogD (pH = 7.4): -0.75008696
• Log P: 1.7814419
• Molar Refractivity: 62.5365 cm^3
• Polarizability: 24.652544 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 164 - 166°C
• Hydrophobicity(logP): 1.521

Product Information

• Purity: 95%