1-methyl-4-(3-propoxypiperidin-1-yl)piperidine

• ChemBase ID: 677726
• Molecular Formular: C14H28N2O
• Molecular Mass: 240.38492
• Monoisotopic Mass: 240.22016353
• SMILES: N1(C2CCN(CC2)C)CC(OCCC)CCC1
• Canonical SMILES: CCCOC1CCCN(C1)C1CCN(CC1)C
• InChI: InChI=1S/C14H28N2O/c1-3-11-17-14-5-4-8-16(12-14)13-6-9-15(2)10-7-13/h13-14H,3-12H2,1-2H3
• InChIKey: UHHYTTJLBAYFIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-4-(3-propoxypiperidin-1-yl)piperidine
• IUPAC Traditional name: 1-methyl-4-(3-propoxypiperidin-1-yl)piperidine
• Synonyms: 1'-methyl-3-propoxy-1,4'-bipiperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -3.5457592
• LogD (pH = 7.4): -1.1518091
• Log P: 1.514895
• Molar Refractivity: 72.9665 cm^3
• Polarizability: 28.812555 Å^3
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.52
• LOG S: -1.24
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 4