[(1-{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}piperidin-3-yl)methyl](methyl)amine

• ChemBase ID: 693750
• Molecular Formular: C14H26N4O
• Molecular Mass: 266.38244
• Monoisotopic Mass: 266.21066147
• SMILES: c1(n(ccn1)CCOC)CN1CC(CNC)CCC1
• Canonical SMILES: CNCC1CCCN(C1)Cc1nccn1CCOC
• InChI: InChI=1S/C14H26N4O/c1-15-10-13-4-3-6-17(11-13)12-14-16-5-7-18(14)8-9-19-2/h5,7,13,15H,3-4,6,8-12H2,1-2H3
• InChIKey: RIKMMRSUWXRSGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1-{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}piperidin-3-yl)methyl](methyl)amine
• IUPAC Traditional name: [(1-{[1-(2-methoxyethyl)imidazol-2-yl]methyl}piperidin-3-yl)methyl](methyl)amine
• Synonyms: 1-(1-{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}piperidin-3-yl)-N-methylmethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.8565972
• LogD (pH = 7.4): -2.7652214
• Log P: 0.19195524
• Molar Refractivity: 77.6983 cm^3
• Polarizability: 30.33169 Å^3
• Polar Surface Area: 42.32 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.2
• LOG S: -0.31
• Polar Surface Area: 42.32 Å^2
• Rotatable Bonds: 7