1-(2-methoxyphenyl)-4-[1-(3-phenylpropyl)piperidin-3-yl]piperazine

• ChemBase ID: 467082
• Molecular Formular: C25H35N3O
• Molecular Mass: 393.5649
• Monoisotopic Mass: 393.27801276
• SMILES: N1(c2c(OC)cccc2)CCN(C2CN(CCCc3ccccc3)CCC2)CC1
• Canonical SMILES: COc1ccccc1N1CCN(CC1)C1CCCN(C1)CCCc1ccccc1
• InChI: InChI=1S/C25H35N3O/c1-29-25-14-6-5-13-24(25)28-19-17-27(18-20-28)23-12-8-16-26(21-23)15-7-11-22-9-3-2-4-10-22/h2-6,9-10,13-14,23H,7-8,11-12,15-21H2,1H3
• InChIKey: BROBZITXWXZPNG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.1679076
• LogD (pH = 7.4): 2.4173036
• Log P: 4.71265
• Molar Refractivity: 122.1988 cm^3
• Polarizability: 47.249176 Å^3
• Polar Surface Area: 18.95 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.65
• LOG S: -3.83
• Polar Surface Area: 18.95 Å^2
• Rotatable Bonds: 6