4-(2-{1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-2-yl}ethyl)morpholine

• ChemBase ID: 433444
• Molecular Formular: C22H36N4O
• Molecular Mass: 372.54744
• Monoisotopic Mass: 372.28891179
• SMILES: N1(Cc2cnc(nc2)C2CCCCC2)C(CCN2CCOCC2)CCCC1
• Canonical SMILES: C1CCC(CC1)c1ncc(cn1)CN1CCCCC1CCN1CCOCC1
• InChI: InChI=1S/C22H36N4O/c1-2-6-20(7-3-1)22-23-16-19(17-24-22)18-26-10-5-4-8-21(26)9-11-25-12-14-27-15-13-25/h16-17,20-21H,1-15,18H2
• InChIKey: UWJOKDXYMXYBRU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-{1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-2-yl}ethyl)morpholine
• IUPAC Traditional name: 4-(2-{1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-2-yl}ethyl)morpholine
• Synonyms: 4-(2-{1-[(2-cyclohexyl-5-pyrimidinyl)methyl]-2-piperidinyl}ethyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.51321244
• LogD (pH = 7.4): 1.8237387
• Log P: 3.0999727
• Molar Refractivity: 110.8628 cm^3
• Polarizability: 43.170578 Å^3
• Polar Surface Area: 41.49 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.25
• LOG S: -2.83
• Polar Surface Area: 41.49 Å^2
• Rotatable Bonds: 6