1-[3-(2-methylphenyl)phenyl]-N-[1-(pyrazin-2-yl)propan-2-yl]piperidin-4-amine

• ChemBase ID: 752814
• Molecular Formular: C25H30N4
• Molecular Mass: 386.5325
• Monoisotopic Mass: 386.24704698
• SMILES: N1(c2cc(c3c(C)cccc3)ccc2)CCC(NC(Cc2nccnc2)C)CC1
• Canonical SMILES: CC(Cc1cnccn1)NC1CCN(CC1)c1cccc(c1)c1ccccc1C
• InChI: InChI=1S/C25H30N4/c1-19-6-3-4-9-25(19)21-7-5-8-24(17-21)29-14-10-22(11-15-29)28-20(2)16-23-18-26-12-13-27-23/h3-9,12-13,17-18,20,22,28H,10-11,14-16H2,1-2H3
• InChIKey: KQTOTZVZYDFRCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[3-(2-methylphenyl)phenyl]-N-[1-(pyrazin-2-yl)propan-2-yl]piperidin-4-amine
• IUPAC Traditional name: 1-[3-(2-methylphenyl)phenyl]-N-[1-(pyrazin-2-yl)propan-2-yl]piperidin-4-amine
• Synonyms: 1-(2'-methyl-3-biphenylyl)-N-[1-methyl-2-(2-pyrazinyl)ethyl]-4-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.6841846
• LogD (pH = 7.4): 1.5795488
• Log P: 3.9098825
• Molar Refractivity: 119.7152 cm^3
• Polarizability: 47.540504 Å^3
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.7
• LOG S: -4.17
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 6