1-(cyclopentylmethyl)-4-(3-methylpyridin-2-yl)piperazine

• ChemBase ID: 830727
• Molecular Formular: C16H25N3
• Molecular Mass: 259.3898
• Monoisotopic Mass: 259.20484782
• SMILES: N1(c2ncccc2C)CCN(CC2CCCC2)CC1
• Canonical SMILES: Cc1cccnc1N1CCN(CC1)CC1CCCC1
• InChI: InChI=1S/C16H25N3/c1-14-5-4-8-17-16(14)19-11-9-18(10-12-19)13-15-6-2-3-7-15/h4-5,8,15H,2-3,6-7,9-13H2,1H3
• InChIKey: CVIKTIHZZYESAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclopentylmethyl)-4-(3-methylpyridin-2-yl)piperazine
• IUPAC Traditional name: 1-(cyclopentylmethyl)-4-(3-methylpyridin-2-yl)piperazine
• Synonyms: 1-(cyclopentylmethyl)-4-(3-methyl-2-pyridinyl)piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.1403886
• LogD (pH = 7.4): 2.2020967
• Log P: 3.4883304
• Molar Refractivity: 80.8785 cm^3
• Polarizability: 30.835415 Å^3
• Polar Surface Area: 19.37 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: 3.37
• LOG S: -2.96
• Polar Surface Area: 19.37 Å^2
• Rotatable Bonds: 3