1-ethyl-3-[3-(3-methoxypropyl)piperidin-1-yl]piperidine

• ChemBase ID: 321025
• Molecular Formular: C16H32N2O
• Molecular Mass: 268.43808
• Monoisotopic Mass: 268.25146365
• SMILES: N1(C2CN(CCC2)CC)CC(CCC1)CCCOC
• Canonical SMILES: COCCCC1CCCN(C1)C1CCCN(C1)CC
• InChI: InChI=1S/C16H32N2O/c1-3-17-10-5-9-16(14-17)18-11-4-7-15(13-18)8-6-12-19-2/h15-16H,3-14H2,1-2H3
• InChIKey: NPFJQSFDXRVZQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-3-[3-(3-methoxypropyl)piperidin-1-yl]piperidine
• IUPAC Traditional name: 1-ethyl-3-[3-(3-methoxypropyl)piperidin-1-yl]piperidine
• Synonyms: 1'-ethyl-3-(3-methoxypropyl)-1,3'-bipiperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.7555963
• LogD (pH = 7.4): -0.48654875
• Log P: 2.3421106
• Molar Refractivity: 82.4625 cm^3
• Polarizability: 32.502605 Å^3
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.04
• LOG S: -1.9
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 6