4,4-diphenyl-1-{5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-yl}piperidine

• ChemBase ID: 541529
• Molecular Formular: C24H26N4
• Molecular Mass: 370.49004
• Monoisotopic Mass: 370.21574685
• SMILES: c1(c2c(ncn1)CNCC2)N1CCC(CC1)(c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)C1(CCN(CC1)c1ncnc2c1CCNC2)c1ccccc1
• InChI: InChI=1S/C24H26N4/c1-3-7-19(8-4-1)24(20-9-5-2-6-10-20)12-15-28(16-13-24)23-21-11-14-25-17-22(21)26-18-27-23/h1-10,18,25H,11-17H2
• InChIKey: DDHKJYWLGHDXIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,4-diphenyl-1-{5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-yl}piperidine
• IUPAC Traditional name: 4,4-diphenyl-1-{5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-yl}piperidine
• Synonyms: 4-(4,4-diphenylpiperidin-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.8545318
• LogD (pH = 7.4): 3.5699854
• Log P: 4.1369863
• Molar Refractivity: 125.3499 cm^3
• Polarizability: 43.54261 Å^3
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.28
• LOG S: -3.69
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 3