1'-[2-methyl-6-(piperidin-4-yl)pyrimidin-4-yl]spiro[indene-1,4'-piperidine]

• ChemBase ID: 317635
• Molecular Formular: C23H28N4
• Molecular Mass: 360.49522
• Monoisotopic Mass: 360.23139692
• SMILES: c1(nc(nc(c1)C1CCNCC1)C)N1CCC2(C=Cc3c2cccc3)CC1
• Canonical SMILES: Cc1nc(cc(n1)C1CCNCC1)N1CCC2(CC1)C=Cc1c2cccc1
• InChI: InChI=1S/C23H28N4/c1-17-25-21(19-7-12-24-13-8-19)16-22(26-17)27-14-10-23(11-15-27)9-6-18-4-2-3-5-20(18)23/h2-6,9,16,19,24H,7-8,10-15H2,1H3
• InChIKey: APHLAHFUZIMFPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1'-[2-methyl-6-(piperidin-4-yl)pyrimidin-4-yl]spiro[indene-1,4'-piperidine]
• IUPAC Traditional name: 1'-[2-methyl-6-(piperidin-4-yl)pyrimidin-4-yl]spiro[indene-1,4'-piperidine]
• Synonyms: 1'-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)spiro[indene-1,4'-piperidine]

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.67623454
• LogD (pH = 7.4): 1.6207069
• Log P: 4.118368
• Molar Refractivity: 112.7282 cm^3
• Polarizability: 42.24877 Å^3
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.98
• LOG S: -4.21
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 2