1-(2-methoxyphenyl)-4-{1-[(2-methoxyphenyl)methyl]piperidin-3-yl}piperazine

• ChemBase ID: 401690
• Molecular Formular: C24H33N3O2
• Molecular Mass: 395.53772
• Monoisotopic Mass: 395.25727731
• SMILES: N1(c2c(OC)cccc2)CCN(C2CN(Cc3c(OC)cccc3)CCC2)CC1
• Canonical SMILES: COc1ccccc1CN1CCCC(C1)N1CCN(CC1)c1ccccc1OC
• InChI: InChI=1S/C24H33N3O2/c1-28-23-11-5-3-8-20(23)18-25-13-7-9-21(19-25)26-14-16-27(17-15-26)22-10-4-6-12-24(22)29-2/h3-6,8,10-12,21H,7,9,13-19H2,1-2H3
• InChIKey: KYXLEYHUGWTMRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methoxyphenyl)-4-{1-[(2-methoxyphenyl)methyl]piperidin-3-yl}piperazine
• IUPAC Traditional name: 1-(2-methoxyphenyl)-4-{1-[(2-methoxyphenyl)methyl]piperidin-3-yl}piperazine
• Synonyms: 1-[1-(2-methoxybenzyl)-3-piperidinyl]-4-(2-methoxyphenyl)piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.6653435
• LogD (pH = 7.4): 2.422291
• Log P: 3.821749
• Molar Refractivity: 119.306 cm^3
• Polarizability: 46.126766 Å^3
• Polar Surface Area: 28.18 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: 3.85
• LOG S: -2.66
• Polar Surface Area: 28.18 Å^2
• Rotatable Bonds: 4