1-benzyl-4,4-diethoxypiperidine

• ChemBase ID: 121831
• Molecular Formular: C16H25NO2
• Molecular Mass: 263.3752
• Monoisotopic Mass: 263.18852905
• SMILES: C1(CCN(CC1)Cc1ccccc1)(OCC)OCC
• Canonical SMILES: CCOC1(OCC)CCN(CC1)Cc1ccccc1
• InChI: InChI=1S/C16H25NO2/c1-3-18-16(19-4-2)10-12-17(13-11-16)14-15-8-6-5-7-9-15/h5-9H,3-4,10-14H2,1-2H3
• InChIKey: BIWIVGCTGYSXRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-4,4-diethoxypiperidine
• IUPAC Traditional name: 1-benzyl-4,4-diethoxypiperidine
• Synonyms: 1-benzyl-4,4-diethoxypiperidine

Database IDs

• PubChem SID: 162216184
• PubChem CID: 3925935

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.44167325
• LogD (pH = 7.4): 2.1484654
• Log P: 3.463574
• Molar Refractivity: 77.9647 cm^3
• Polarizability: 30.932673 Å^3
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true