2-[2-(2-phenoxyethoxy)ethyl]piperidine hydrochloride

• ChemBase ID: 46321
• Molecular Formular: C15H24ClNO2
• Molecular Mass: 285.80956
• Monoisotopic Mass: 285.14955669
• SMILES: N1C(CCOCCOc2ccccc2)CCCC1.Cl
• Canonical SMILES: C1CCC(NC1)CCOCCOc1ccccc1.Cl
• InChI: InChI=1S/C15H23NO2.ClH/c1-2-7-15(8-3-1)18-13-12-17-11-9-14-6-4-5-10-16-14;/h1-3,7-8,14,16H,4-6,9-13H2;1H
• InChIKey: RABZNBAQHQMKDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(2-phenoxyethoxy)ethyl]piperidine hydrochloride
• IUPAC Traditional name: 2-[2-(2-phenoxyethoxy)ethyl]piperidine hydrochloride
• Synonyms: 2-[2-(2-Phenoxyethoxy)ethyl]piperidine hydrochloride

Database IDs

• MDL Number: MFCD13560208
• PubChem SID: 162051084
• PubChem CID: 56829874

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.85727644
• LogD (pH = 7.4): -0.40033346
• Log P: 2.3742886
• Molar Refractivity: 72.9667 cm^3
• Polarizability: 29.075481 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