4-[1-(piperidin-4-yl)piperidine-3-carbonyl]morpholine

• ChemBase ID: 366287
• Molecular Formular: C15H27N3O2
• Molecular Mass: 281.39378
• Monoisotopic Mass: 281.21032712
• SMILES: C(=O)(C1CN(C2CCNCC2)CCC1)N1CCOCC1
• Canonical SMILES: O=C(N1CCOCC1)C1CCCN(C1)C1CCNCC1
• InChI: InChI=1S/C15H27N3O2/c19-15(17-8-10-20-11-9-17)13-2-1-7-18(12-13)14-3-5-16-6-4-14/h13-14,16H,1-12H2
• InChIKey: FEHWPSFTLALCEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[1-(piperidin-4-yl)piperidine-3-carbonyl]morpholine
• IUPAC Traditional name: 4-[1-(piperidin-4-yl)piperidine-3-carbonyl]morpholine
• Synonyms: 3-(morpholin-4-ylcarbonyl)-1,4'-bipiperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -6.3161016
• LogD (pH = 7.4): -4.122803
• Log P: -0.5151452
• Molar Refractivity: 79.0625 cm^3
• Polarizability: 31.127426 Å^3
• Polar Surface Area: 44.81 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.52
• LOG S: -1.7
• Polar Surface Area: 44.81 Å^2
• Rotatable Bonds: 2