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

• ChemBase ID: 831884
• Molecular Formular: C23H31N3
• Molecular Mass: 349.51234
• Monoisotopic Mass: 349.25179801
• SMILES: N1(C2CN(CCc3ccccc3)CCC2)CCN(CC1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)CCN1CCCC(C1)N1CCN(CC1)c1ccccc1
• InChI: InChI=1S/C23H31N3/c1-3-8-21(9-4-1)13-15-24-14-7-12-23(20-24)26-18-16-25(17-19-26)22-10-5-2-6-11-22/h1-6,8-11,23H,7,12-20H2
• InChIKey: NTNSMYQJIUUYOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.8121922
• LogD (pH = 7.4): 2.2882452
• Log P: 4.4257526
• Molar Refractivity: 111.1346 cm^3
• Polarizability: 42.919632 Å^3
• Polar Surface Area: 9.72 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.42
• LOG S: -3.51
• Polar Surface Area: 9.72 Å^2
• Rotatable Bonds: 5