4-{3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl}-5-propylpyrimidine

• ChemBase ID: 570260
• Molecular Formular: C23H33N5O
• Molecular Mass: 395.54102
• Monoisotopic Mass: 395.2685107
• SMILES: N1(c2ncncc2CCC)CC(N2CCN(c3c(OC)cccc3)CC2)CCC1
• Canonical SMILES: CCCc1cncnc1N1CCCC(C1)N1CCN(CC1)c1ccccc1OC
• InChI: InChI=1S/C23H33N5O/c1-3-7-19-16-24-18-25-23(19)28-11-6-8-20(17-28)26-12-14-27(15-13-26)21-9-4-5-10-22(21)29-2/h4-5,9-10,16,18,20H,3,6-8,11-15,17H2,1-2H3
• InChIKey: DGDFTRFALIZMJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl}-5-propylpyrimidine
• IUPAC Traditional name: 4-{3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl}-5-propylpyrimidine
• Synonyms: 4-{3-[4-(2-methoxyphenyl)-1-piperazinyl]-1-piperidinyl}-5-propylpyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.8666644
• LogD (pH = 7.4): 3.66397
• Log P: 4.219573
• Molar Refractivity: 119.9497 cm^3
• Polarizability: 45.02131 Å^3
• Polar Surface Area: 44.73 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.69
• LOG S: -4.23
• Polar Surface Area: 44.73 Å^2
• Rotatable Bonds: 6