4-[2-(oxolan-2-ylmethoxy)ethyl]piperidine hydrochloride

• ChemBase ID: 21152
• Molecular Formular: C12H24ClNO2
• Molecular Mass: 249.77746
• Monoisotopic Mass: 249.14955669
• SMILES: N1CCC(CCOCC2CCCO2)CC1.Cl
• Canonical SMILES: N1CCC(CC1)CCOCC1CCCO1.Cl
• InChI: InChI=1S/C12H23NO2.ClH/c1-2-12(15-8-1)10-14-9-5-11-3-6-13-7-4-11;/h11-13H,1-10H2;1H
• InChIKey: GVAMOOAXFLBMFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(oxolan-2-ylmethoxy)ethyl]piperidine hydrochloride
• IUPAC Traditional name: 4-[2-(oxolan-2-ylmethoxy)ethyl]piperidine hydrochloride
• Synonyms: 4-[2-(Tetrahydro-2-furanylmethoxy)ethyl] piperidine hydrochloride

Database IDs

• MDL Number: MFCD09879251
• PubChem SID: 160984459
• PubChem CID: 45075565

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.2174735
• LogD (pH = 7.4): -1.7610836
• Log P: 1.0141124
• Molar Refractivity: 60.9196 cm^3
• Polarizability: 24.283567 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false