3-[2-(oxolan-2-ylmethoxy)ethyl]piperidine

• ChemBase ID: 21135
• Molecular Formular: C12H23NO2
• Molecular Mass: 213.31652
• Monoisotopic Mass: 213.17287898
• SMILES: N1CC(CCOCC2OCCC2)CCC1
• Canonical SMILES: C1CCC(CN1)CCOCC1CCCO1
• InChI: InChI=1S/C12H23NO2/c1-3-11(9-13-6-1)5-8-14-10-12-4-2-7-15-12/h11-13H,1-10H2
• InChIKey: KZTXXCCGELOEEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[2-(oxolan-2-ylmethoxy)ethyl]piperidine
• IUPAC Traditional name: 3-[2-(oxolan-2-ylmethoxy)ethyl]piperidine
• Synonyms: 3-[2-(Tetrahydro-2-furanylmethoxy)ethyl]piperidine

Database IDs

• MDL Number: MFCD08688538
• PubChem SID: 160984442
• PubChem CID: 45075552

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.1422563
• LogD (pH = 7.4): -1.7662134
• Log P: 1.092066
• Molar Refractivity: 60.8426 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