2-(2-methoxyethyl)-4-(piperidin-4-ylmethyl)morpholine

• ChemBase ID: 697710
• Molecular Formular: C13H26N2O2
• Molecular Mass: 242.35774
• Monoisotopic Mass: 242.19942808
• SMILES: N1(CC(OCC1)CCOC)CC1CCNCC1
• Canonical SMILES: COCCC1OCCN(C1)CC1CCNCC1
• InChI: InChI=1S/C13H26N2O2/c1-16-8-4-13-11-15(7-9-17-13)10-12-2-5-14-6-3-12/h12-14H,2-11H2,1H3
• InChIKey: NPSYGXOZJOZKTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyethyl)-4-(piperidin-4-ylmethyl)morpholine
• IUPAC Traditional name: 2-(2-methoxyethyl)-4-(piperidin-4-ylmethyl)morpholine
• Synonyms: 2-(2-methoxyethyl)-4-(piperidin-4-ylmethyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -5.905616
• LogD (pH = 7.4): -3.6862078
• Log P: 0.14877926
• Molar Refractivity: 69.6161 cm^3
• Polarizability: 27.65224 Å^3
• Polar Surface Area: 33.73 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: 0.27
• LOG S: -0.19
• Polar Surface Area: 33.73 Å^2
• Rotatable Bonds: 5