4-methyl-2-[4-(piperidin-1-yl)piperidin-1-yl]quinazoline

• ChemBase ID: 320187
• Molecular Formular: C19H26N4
• Molecular Mass: 310.43654
• Monoisotopic Mass: 310.21574685
• SMILES: c1(nc(c2c(n1)cccc2)C)N1CCC(N2CCCCC2)CC1
• Canonical SMILES: Cc1nc(nc2c1cccc2)N1CCC(CC1)N1CCCCC1
• InChI: InChI=1S/C19H26N4/c1-15-17-7-3-4-8-18(17)21-19(20-15)23-13-9-16(10-14-23)22-11-5-2-6-12-22/h3-4,7-8,16H,2,5-6,9-14H2,1H3
• InChIKey: KZVXCUDTJFXSER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-2-[4-(piperidin-1-yl)piperidin-1-yl]quinazoline
• IUPAC Traditional name: 4-methyl-2-[4-(piperidin-1-yl)piperidin-1-yl]quinazoline
• Synonyms: 1'-(4-methylquinazolin-2-yl)-1,4'-bipiperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.19323318
• LogD (pH = 7.4): 1.1129367
• Log P: 3.220435
• Molar Refractivity: 95.3597 cm^3
• Polarizability: 37.48325 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.66
• LOG S: -3.58
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 2