[(1-ethyl-1H-imidazol-2-yl)methyl]({1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl}methyl)methylamine

• ChemBase ID: 853560
• Molecular Formular: C22H34N4O
• Molecular Mass: 370.53156
• Monoisotopic Mass: 370.27326173
• SMILES: c1(n(ccn1)CC)CN(CC1CN(CCc2ccc(cc2)OC)CCC1)C
• Canonical SMILES: COc1ccc(cc1)CCN1CCCC(C1)CN(Cc1nccn1CC)C
• InChI: InChI=1S/C22H34N4O/c1-4-26-15-12-23-22(26)18-24(2)16-20-6-5-13-25(17-20)14-11-19-7-9-21(27-3)10-8-19/h7-10,12,15,20H,4-6,11,13-14,16-18H2,1-3H3
• InChIKey: FLBYRMVPRFVGMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1-ethyl-1H-imidazol-2-yl)methyl]({1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl}methyl)methylamine
• IUPAC Traditional name: [(1-ethylimidazol-2-yl)methyl]({1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl}methyl)methylamine
• Synonyms: 1-(1-ethyl-1H-imidazol-2-yl)-N-({1-[2-(4-methoxyphenyl)ethyl]-3-piperidinyl}methyl)-N-methylmethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.4002122
• LogD (pH = 7.4): 0.5005119
• Log P: 2.8342497
• Molar Refractivity: 112.5289 cm^3
• Polarizability: 43.534576 Å^3
• Polar Surface Area: 33.53 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.87
• LOG S: -2.73
• Polar Surface Area: 33.53 Å^2
• Rotatable Bonds: 7