4-(2-{1-[1-(2-fluorophenyl)cyclopropanecarbonyl]piperidin-2-yl}ethyl)morpholine

• ChemBase ID: 495979
• Molecular Formular: C21H29FN2O2
• Molecular Mass: 360.4655632
• Monoisotopic Mass: 360.2213064
• SMILES: C1(C(=O)N2C(CCN3CCOCC3)CCCC2)(CC1)c1c(F)cccc1
• Canonical SMILES: Fc1ccccc1C1(CC1)C(=O)N1CCCCC1CCN1CCOCC1
• InChI: InChI=1S/C21H29FN2O2/c22-19-7-2-1-6-18(19)21(9-10-21)20(25)24-11-4-3-5-17(24)8-12-23-13-15-26-16-14-23/h1-2,6-7,17H,3-5,8-16H2
• InChIKey: QCXPGSKZNAKELP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-{1-[1-(2-fluorophenyl)cyclopropanecarbonyl]piperidin-2-yl}ethyl)morpholine
• IUPAC Traditional name: 4-(2-{1-[1-(2-fluorophenyl)cyclopropanecarbonyl]piperidin-2-yl}ethyl)morpholine
• Synonyms: 4-[2-(1-{[1-(2-fluorophenyl)cyclopropyl]carbonyl}-2-piperidinyl)ethyl]morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.1835037
• LogD (pH = 7.4): 2.619493
• Log P: 2.7996173
• Molar Refractivity: 100.2421 cm^3
• Polarizability: 38.847675 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.47
• LOG S: -3.94
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 5