2-[1-cyclopentyl-4-(3-cyclopentylpropyl)piperazin-2-yl]ethan-1-ol

• ChemBase ID: 840239
• Molecular Formular: C19H36N2O
• Molecular Mass: 308.50194
• Monoisotopic Mass: 308.28276378
• SMILES: N1(C(CN(CC1)CCCC1CCCC1)CCO)C1CCCC1
• Canonical SMILES: OCCC1CN(CCCC2CCCC2)CCN1C1CCCC1
• InChI: InChI=1S/C19H36N2O/c22-15-11-19-16-20(12-5-8-17-6-1-2-7-17)13-14-21(19)18-9-3-4-10-18/h17-19,22H,1-16H2
• InChIKey: BLLOSTDKSPAXKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[1-cyclopentyl-4-(3-cyclopentylpropyl)piperazin-2-yl]ethan-1-ol
• IUPAC Traditional name: 2-[1-cyclopentyl-4-(3-cyclopentylpropyl)piperazin-2-yl]ethanol
• Synonyms: 2-[1-cyclopentyl-4-(3-cyclopentylpropyl)-2-piperazinyl]ethanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.921745
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.067853674
• LogD (pH = 7.4): 1.2837067
• Log P: 3.3025138
• Molar Refractivity: 93.7023 cm^3
• Polarizability: 37.22791 Å^3
• Polar Surface Area: 26.71 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.26
• LOG S: -2.27
• Polar Surface Area: 26.71 Å^2
• Rotatable Bonds: 7