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

• ChemBase ID: 670059
• Molecular Formular: C24H33N3O
• Molecular Mass: 379.53832
• Monoisotopic Mass: 379.26236269
• SMILES: N1(c2c(OC)cccc2)CCN(C2CN(CCc3ccccc3)CCC2)CC1
• Canonical SMILES: COc1ccccc1N1CCN(CC1)C1CCCN(C1)CCc1ccccc1
• InChI: InChI=1S/C24H33N3O/c1-28-24-12-6-5-11-23(24)27-18-16-26(17-19-27)22-10-7-14-25(20-22)15-13-21-8-3-2-4-9-21/h2-6,8-9,11-12,22H,7,10,13-20H2,1H3
• InChIKey: ALCMGIDWIGHRIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Donor: 0
• LogD (pH = 5.5): 0.7612683
• LogD (pH = 7.4): 2.1608148
• Log P: 4.268081
• Molar Refractivity: 117.5978 cm^3
• Polarizability: 45.402283 Å^3
• Polar Surface Area: 18.95 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• H Acceptors: 4

供应商提供(Chembridge)

• H Donor: 0
• Log P: 3.27
• LOG S: -3.35
• Polar Surface Area: 18.95 Å^2
• Rotatable Bonds: 5
• H Acceptors: 3