3-{[4-(diphenylmethyl)piperazin-1-yl]methyl}pyridin-2-amine

• ChemBase ID: 527779
• Molecular Formular: C23H26N4
• Molecular Mass: 358.47934
• Monoisotopic Mass: 358.21574685
• SMILES: c1(c(nccc1)N)CN1CCN(C(c2ccccc2)c2ccccc2)CC1
• Canonical SMILES: Nc1ncccc1CN1CCN(CC1)C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C23H26N4/c24-23-21(12-7-13-25-23)18-26-14-16-27(17-15-26)22(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-13,22H,14-18H2,(H2,24,25)
• InChIKey: AJRCHRDQBSGPLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{[4-(diphenylmethyl)piperazin-1-yl]methyl}pyridin-2-amine
• IUPAC Traditional name: 3-{[4-(diphenylmethyl)piperazin-1-yl]methyl}pyridin-2-amine
• Synonyms: 3-{[4-(diphenylmethyl)-1-piperazinyl]methyl}-2-pyridinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.0204353
• LogD (pH = 7.4): 2.98141
• Log P: 3.8183346
• Molar Refractivity: 112.4032 cm^3
• Polarizability: 43.19567 Å^3
• Polar Surface Area: 45.39 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.33
• LOG S: -2.8
• Polar Surface Area: 45.39 Å^2
• Rotatable Bonds: 5