4-cyclopropyl-6-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidine

• ChemBase ID: 673646
• Molecular Formular: C19H23N3O
• Molecular Mass: 309.40542
• Monoisotopic Mass: 309.18411237
• SMILES: c1(cc(C2CC2)ncn1)N1CCC(CC1)(c1ccccc1)OC
• Canonical SMILES: COC1(CCN(CC1)c1ncnc(c1)C1CC1)c1ccccc1
• InChI: InChI=1S/C19H23N3O/c1-23-19(16-5-3-2-4-6-16)9-11-22(12-10-19)18-13-17(15-7-8-15)20-14-21-18/h2-6,13-15H,7-12H2,1H3
• InChIKey: LNVVRNDPZOQOST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-cyclopropyl-6-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidine
• IUPAC Traditional name: 4-cyclopropyl-6-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidine
• Synonyms: 4-cyclopropyl-6-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.9527178
• LogD (pH = 7.4): 3.2668393
• Log P: 3.2728312
• Molar Refractivity: 92.4328 cm^3
• Polarizability: 34.99452 Å^3
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.99
• LOG S: -4.58
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 4