4-(4-ethylphenoxy)piperidine hydrochloride

• ChemBase ID: 20982
• Molecular Formular: C13H20ClNO
• Molecular Mass: 241.757
• Monoisotopic Mass: 241.12334195
• SMILES: N1CCC(Oc2ccc(cc2)CC)CC1.Cl
• Canonical SMILES: CCc1ccc(cc1)OC1CCNCC1.Cl
• InChI: InChI=1S/C13H19NO.ClH/c1-2-11-3-5-12(6-4-11)15-13-7-9-14-10-8-13;/h3-6,13-14H,2,7-10H2,1H3;1H
• InChIKey: QJZSKLYIIINPNN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-ethylphenoxy)piperidine hydrochloride
• IUPAC Traditional name: 4-(4-ethylphenoxy)piperidine hydrochloride
• Synonyms: 4-(4-Ethylphenoxy)piperidine hydrochloride

Database IDs

• MDL Number: MFCD11845779
• PubChem SID: 160984289
• PubChem CID: 46735695

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.7900759
• LogD (pH = 7.4): 0.054242678
• Log P: 2.4173229
• Molar Refractivity: 62.3198 cm^3
• Polarizability: 24.635944 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