1-(1-cyclobutylpiperidin-3-yl)-4-phenylpiperazine

• ChemBase ID: 473340
• Molecular Formular: C19H29N3
• Molecular Mass: 299.45366
• Monoisotopic Mass: 299.23614794
• SMILES: N1(CC(N2CCN(CC2)c2ccccc2)CCC1)C1CCC1
• Canonical SMILES: C1CC(C1)N1CCCC(C1)N1CCN(CC1)c1ccccc1
• InChI: InChI=1S/C19H29N3/c1-2-6-17(7-3-1)20-12-14-21(15-13-20)19-10-5-11-22(16-19)18-8-4-9-18/h1-3,6-7,18-19H,4-5,8-16H2
• InChIKey: AVCCESFBTCKRGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-cyclobutylpiperidin-3-yl)-4-phenylpiperazine
• IUPAC Traditional name: 1-(1-cyclobutylpiperidin-3-yl)-4-phenylpiperazine
• Synonyms: 1-(1-cyclobutyl-3-piperidinyl)-4-phenylpiperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.29982176
• LogD (pH = 7.4): 1.0345519
• Log P: 3.3227515
• Molar Refractivity: 93.5792 cm^3
• Polarizability: 36.31672 Å^3
• Polar Surface Area: 9.72 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.32
• LOG S: -2.4
• Polar Surface Area: 9.72 Å^2
• Rotatable Bonds: 3