1-(2,2-diethoxyethyl)-4-methoxypiperidine

• ChemBase ID: 241837
• Molecular Formular: C12H25NO3
• Molecular Mass: 231.3318
• Monoisotopic Mass: 231.18344367
• SMILES: N1(CC(OCC)OCC)CCC(CC1)OC
• Canonical SMILES: CCOC(CN1CCC(CC1)OC)OCC
• InChI: InChI=1S/C12H25NO3/c1-4-15-12(16-5-2)10-13-8-6-11(14-3)7-9-13/h11-12H,4-10H2,1-3H3
• InChIKey: BGBDKYFQQHSEHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,2-diethoxyethyl)-4-methoxypiperidine
• IUPAC Traditional name: 1-(2,2-diethoxyethyl)-4-methoxypiperidine
• Synonyms: 1-(2,2-diethoxyethyl)-4-methoxypiperidine

Database IDs

• MDL Number: MFCD18848405
• PubChem SID: 164297747
• PubChem CID: 63618850

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.8186991
• LogD (pH = 7.4): -0.076760486
• Log P: 1.0968986
• Molar Refractivity: 64.7854 cm^3
• Polarizability: 25.709827 Å^3
• Polar Surface Area: 30.93 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.644

Product Information

• Purity: 95%