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

• ChemBase ID: 470935
• Molecular Formular: C22H34N4
• Molecular Mass: 354.53216
• Monoisotopic Mass: 354.27834711
• SMILES: c1(n(ccn1)CC)CN(CC1CN(CCc2c(C)cccc2)CCC1)C
• Canonical SMILES: CCn1ccnc1CN(CC1CCCN(C1)CCc1ccccc1C)C
• InChI: InChI=1S/C22H34N4/c1-4-26-15-12-23-22(26)18-24(3)16-20-9-7-13-25(17-20)14-11-21-10-6-5-8-19(21)2/h5-6,8,10,12,15,20H,4,7,9,11,13-14,16-18H2,1-3H3
• InChIKey: ORORYZZDOOUFQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1-ethyl-1H-imidazol-2-yl)methyl](methyl)({1-[2-(2-methylphenyl)ethyl]piperidin-3-yl}methyl)amine
• IUPAC Traditional name: [(1-ethylimidazol-2-yl)methyl](methyl)({1-[2-(2-methylphenyl)ethyl]piperidin-3-yl}methyl)amine
• Synonyms: 1-(1-ethyl-1H-imidazol-2-yl)-N-methyl-N-({1-[2-(2-methylphenyl)ethyl]-3-piperidinyl}methyl)methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.76495814
• LogD (pH = 7.4): 0.9738593
• Log P: 3.5053422
• Molar Refractivity: 111.1069 cm^3
• Polarizability: 42.807823 Å^3
• Polar Surface Area: 24.3 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.4
• LOG S: -3.15
• Polar Surface Area: 24.3 Å^2
• Rotatable Bonds: 7