N-methyl-N-(2-phenylethyl)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-3-amine

• ChemBase ID: 640989
• Molecular Formular: C25H36N4
• Molecular Mass: 392.58014
• Monoisotopic Mass: 392.29399717
• SMILES: N1(CC(N(CCc2ccccc2)C)CCC1)C1CCN(CC1)Cc1ncccc1
• Canonical SMILES: CN(C1CCCN(C1)C1CCN(CC1)Cc1ccccn1)CCc1ccccc1
• InChI: InChI=1S/C25H36N4/c1-27(17-12-22-8-3-2-4-9-22)25-11-7-16-29(21-25)24-13-18-28(19-14-24)20-23-10-5-6-15-26-23/h2-6,8-10,15,24-25H,7,11-14,16-21H2,1H3
• InChIKey: KABAHLIVUIANLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-(2-phenylethyl)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-3-amine
• IUPAC Traditional name: N-methyl-N-(2-phenylethyl)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-3-amine
• Synonyms: N-methyl-N-(2-phenylethyl)-1'-(2-pyridinylmethyl)-1,4'-bipiperidin-3-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.073994
• LogD (pH = 7.4): 0.46286905
• Log P: 3.3025916
• Molar Refractivity: 121.9706 cm^3
• Polarizability: 47.92248 Å^3
• Polar Surface Area: 22.61 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.35
• LOG S: -2.18
• Polar Surface Area: 22.61 Å^2
• Rotatable Bonds: 7