1-(1-methylpiperidin-4-yl)-4-[3-(piperidine-1-carbonyl)phenoxy]piperidine

• ChemBase ID: 697876
• Molecular Formular: C23H35N3O2
• Molecular Mass: 385.5429
• Monoisotopic Mass: 385.27292738
• SMILES: C(=O)(N1CCCCC1)c1cc(OC2CCN(C3CCN(CC3)C)CC2)ccc1
• Canonical SMILES: CN1CCC(CC1)N1CCC(CC1)Oc1cccc(c1)C(=O)N1CCCCC1
• InChI: InChI=1S/C23H35N3O2/c1-24-14-8-20(9-15-24)25-16-10-21(11-17-25)28-22-7-5-6-19(18-22)23(27)26-12-3-2-4-13-26/h5-7,18,20-21H,2-4,8-17H2,1H3
• InChIKey: KNGYKCSCJSTORX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.9618845
• LogD (pH = 7.4): -0.39958903
• Log P: 2.0175455
• Molar Refractivity: 114.4372 cm^3
• Polarizability: 44.17014 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: 2.98
• LOG S: -4.56
• Polar Surface Area: 36.02 Å^2
• Rotatable Bonds: 4