4-{2-[1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]ethyl}morpholine

• ChemBase ID: 340322
• Molecular Formular: C15H25N3OS
• Molecular Mass: 295.4435
• Monoisotopic Mass: 295.17183344
• SMILES: N1(Cc2ncsc2)C(CCN2CCOCC2)CCCC1
• Canonical SMILES: O1CCN(CC1)CCC1CCCCN1Cc1cscn1
• InChI: InChI=1S/C15H25N3OS/c1-2-5-18(11-14-12-20-13-16-14)15(3-1)4-6-17-7-9-19-10-8-17/h12-13,15H,1-11H2
• InChIKey: HMYAKRPTZNRXRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{2-[1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]ethyl}morpholine
• IUPAC Traditional name: 4-{2-[1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]ethyl}morpholine
• Synonyms: 4-{2-[1-(1,3-thiazol-4-ylmethyl)-2-piperidinyl]ethyl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.5602599
• LogD (pH = 7.4): 0.6673947
• Log P: 1.4251443
• Molar Refractivity: 83.0581 cm^3
• Polarizability: 32.48658 Å^3
• Polar Surface Area: 28.6 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.68
• LOG S: -0.93
• Polar Surface Area: 28.6 Å^2
• Rotatable Bonds: 5