2-[4-cyclohexyl-3-(2-hydroxyethyl)piperazin-1-yl]ethan-1-ol

• ChemBase ID: 495249
• Molecular Formular: C14H28N2O2
• Molecular Mass: 256.38432
• Monoisotopic Mass: 256.21507815
• SMILES: N1(C(CN(CC1)CCO)CCO)C1CCCCC1
• Canonical SMILES: OCCC1CN(CCO)CCN1C1CCCCC1
• InChI: InChI=1S/C14H28N2O2/c17-10-6-14-12-15(9-11-18)7-8-16(14)13-4-2-1-3-5-13/h13-14,17-18H,1-12H2
• InChIKey: ULZDGWBGRGQUSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-cyclohexyl-3-(2-hydroxyethyl)piperazin-1-yl]ethan-1-ol
• IUPAC Traditional name: 2-[4-cyclohexyl-3-(2-hydroxyethyl)piperazin-1-yl]ethanol
• Synonyms: 2,2'-(4-cyclohexyl-1,3-piperazinediyl)diethanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.426007
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.7740467
• LogD (pH = 7.4): -1.393102
• Log P: 0.57608235
• Molar Refractivity: 74.1726 cm^3
• Polarizability: 29.34843 Å^3
• Polar Surface Area: 46.94 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.14
• LOG S: -0.09
• Polar Surface Area: 46.94 Å^2
• Rotatable Bonds: 5