4-{2-[4-(2-methoxyethyl)phenoxy]ethyl}piperidine hydrochloride

• ChemBase ID: 46259
• Molecular Formular: C16H26ClNO2
• Molecular Mass: 299.83614
• Monoisotopic Mass: 299.16520676
• SMILES: N1CCC(CCOc2ccc(cc2)CCOC)CC1.Cl
• Canonical SMILES: COCCc1ccc(cc1)OCCC1CCNCC1.Cl
• InChI: InChI=1S/C16H25NO2.ClH/c1-18-12-8-14-2-4-16(5-3-14)19-13-9-15-6-10-17-11-7-15;/h2-5,15,17H,6-13H2,1H3;1H
• InChIKey: PONIIVZGRMMAMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{2-[4-(2-methoxyethyl)phenoxy]ethyl}piperidine hydrochloride
• IUPAC Traditional name: 4-{2-[4-(2-methoxyethyl)phenoxy]ethyl}piperidine hydrochloride
• Synonyms: 4-{2-[4-(2-Methoxyethyl)phenoxy]ethyl}piperidine hydrochloride

Database IDs

• MDL Number: MFCD13560146
• PubChem SID: 162051022
• PubChem CID: 56829772

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.78059936
• LogD (pH = 7.4): -0.32420942
• Log P: 2.4509864
• Molar Refractivity: 78.4957 cm^3
• Polarizability: 30.838297 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false