4-(5-{[4-(pyridin-4-yl)piperidin-1-yl]methyl}-1,3-thiazol-2-yl)morpholine

• ChemBase ID: 599914
• Molecular Formular: C18H24N4OS
• Molecular Mass: 344.47436
• Monoisotopic Mass: 344.16708241
• SMILES: c1(ncc(s1)CN1CCC(CC1)c1ccncc1)N1CCOCC1
• Canonical SMILES: O1CCN(CC1)c1ncc(s1)CN1CCC(CC1)c1ccncc1
• InChI: InChI=1S/C18H24N4OS/c1-5-19-6-2-15(1)16-3-7-21(8-4-16)14-17-13-20-18(24-17)22-9-11-23-12-10-22/h1-2,5-6,13,16H,3-4,7-12,14H2
• InChIKey: KEUMTTPZVKQHDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(5-{[4-(pyridin-4-yl)piperidin-1-yl]methyl}-1,3-thiazol-2-yl)morpholine
• IUPAC Traditional name: 4-(5-{[4-(pyridin-4-yl)piperidin-1-yl]methyl}-1,3-thiazol-2-yl)morpholine
• Synonyms: 4-(5-{[4-(4-pyridinyl)-1-piperidinyl]methyl}-1,3-thiazol-2-yl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.52200484
• LogD (pH = 7.4): 1.3689532
• Log P: 2.333185
• Molar Refractivity: 97.1983 cm^3
• Polarizability: 37.03166 Å^3
• Polar Surface Area: 41.49 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.11
• LOG S: 0.46
• Polar Surface Area: 41.49 Å^2
• Rotatable Bonds: 4