4-cyclobutoxypiperidine

• ChemBase ID: 276253
• Molecular Formular: C9H17NO
• Molecular Mass: 155.23738
• Monoisotopic Mass: 155.13101417
• SMILES: N1CCC(OC2CCC2)CC1
• Canonical SMILES: N1CCC(CC1)OC1CCC1
• InChI: InChI=1S/C9H17NO/c1-2-8(3-1)11-9-4-6-10-7-5-9/h8-10H,1-7H2
• InChIKey: ROUKMOFCAFBPAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-cyclobutoxypiperidine
• IUPAC Traditional name: 4-cyclobutoxypiperidine
• Synonyms: 4-cyclobutoxypiperidine

Database IDs

• MDL Number: MFCD16684525
• PubChem SID: 164332163
• PubChem CID: 54594082

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5414932
• LogD (pH = 7.4): -1.8530715
• Log P: 0.6784408
• Molar Refractivity: 44.9811 cm^3
• Polarizability: 18.067194 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.337

Product Information

• Purity: 95%