2-[1-cyclohexyl-4-(furan-2-ylmethyl)piperazin-2-yl]ethan-1-ol

• ChemBase ID: 833576
• Molecular Formular: C17H28N2O2
• Molecular Mass: 292.41642
• Monoisotopic Mass: 292.21507815
• SMILES: N1(C(CN(Cc2occc2)CC1)CCO)C1CCCCC1
• Canonical SMILES: OCCC1CN(CCN1C1CCCCC1)Cc1ccco1
• InChI: InChI=1S/C17H28N2O2/c20-11-8-16-13-18(14-17-7-4-12-21-17)9-10-19(16)15-5-2-1-3-6-15/h4,7,12,15-16,20H,1-3,5-6,8-11,13-14H2
• InChIKey: BQGQEUXFDRBFBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[1-cyclohexyl-4-(furan-2-ylmethyl)piperazin-2-yl]ethan-1-ol
• IUPAC Traditional name: 2-[1-cyclohexyl-4-(furan-2-ylmethyl)piperazin-2-yl]ethanol
• Synonyms: 2-[1-cyclohexyl-4-(2-furylmethyl)-2-piperazinyl]ethanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.921745
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.1822728
• LogD (pH = 7.4): 0.37975866
• Log P: 2.050904
• Molar Refractivity: 84.8838 cm^3
• Polarizability: 33.343872 Å^3
• Polar Surface Area: 39.85 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.11
• LOG S: -0.71
• Polar Surface Area: 39.85 Å^2
• Rotatable Bonds: 5