4-(oxolan-2-ylmethoxy)piperidine

• ChemBase ID: 235241
• Molecular Formular: C10H19NO2
• Molecular Mass: 185.26336
• Monoisotopic Mass: 185.14157885
• SMILES: N1CCC(OCC2OCCC2)CC1
• Canonical SMILES: N1CCC(CC1)OCC1CCCO1
• InChI: InChI=1S/C10H19NO2/c1-2-10(12-7-1)8-13-9-3-5-11-6-4-9/h9-11H,1-8H2
• InChIKey: TWSGAWBWOWQVNC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(oxolan-2-ylmethoxy)piperidine
• IUPAC Traditional name: 4-(oxolan-2-ylmethoxy)piperidine
• Synonyms: 4-(oxolan-2-ylmethoxy)piperidine

Database IDs

• MDL Number: MFCD06248802
• PubChem SID: 164291151
• PubChem CID: 24703106

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.0330381
• LogD (pH = 7.4): -2.3446312
• Log P: 0.18689665
• Molar Refractivity: 51.4236 cm^3
• Polarizability: 20.602833 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.067

Product Information

• Purity: 95%