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

• ChemBase ID: 862428
• Molecular Formular: C22H33N3O2
• Molecular Mass: 371.51632
• Monoisotopic Mass: 371.25727731
• SMILES: C(=O)(C1CN(C2CCN(CC2)Cc2ccccc2)CCC1)N1CCOCC1
• Canonical SMILES: O=C(N1CCOCC1)C1CCCN(C1)C1CCN(CC1)Cc1ccccc1
• InChI: InChI=1S/C22H33N3O2/c26-22(24-13-15-27-16-14-24)20-7-4-10-25(18-20)21-8-11-23(12-9-21)17-19-5-2-1-3-6-19/h1-3,5-6,20-21H,4,7-18H2
• InChIKey: RUWZGLMMQXQXEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -3.6052897
• LogD (pH = 7.4): -1.2999169
• Log P: 1.5923759
• Molar Refractivity: 108.9698 cm^3
• Polarizability: 42.561764 Å^3
• Polar Surface Area: 36.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.34
• LOG S: -3.91
• Polar Surface Area: 36.02 Å^2
• Rotatable Bonds: 4