dimethyl({4-[1-(5-methylpyrazine-2-carbonyl)piperidin-2-yl]phenyl}methyl)amine

• ChemBase ID: 331458
• Molecular Formular: C20H26N4O
• Molecular Mass: 338.44664
• Monoisotopic Mass: 338.21066147
• SMILES: N1(C(=O)c2ncc(nc2)C)C(c2ccc(CN(C)C)cc2)CCCC1
• Canonical SMILES: CN(Cc1ccc(cc1)C1CCCCN1C(=O)c1cnc(cn1)C)C
• InChI: InChI=1S/C20H26N4O/c1-15-12-22-18(13-21-15)20(25)24-11-5-4-6-19(24)17-9-7-16(8-10-17)14-23(2)3/h7-10,12-13,19H,4-6,11,14H2,1-3H3
• InChIKey: JBJQJYPHXCTVGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl({4-[1-(5-methylpyrazine-2-carbonyl)piperidin-2-yl]phenyl}methyl)amine
• IUPAC Traditional name: dimethyl({4-[1-(5-methylpyrazine-2-carbonyl)piperidin-2-yl]phenyl}methyl)amine
• Synonyms: N,N-dimethyl-1-(4-{1-[(5-methyl-2-pyrazinyl)carbonyl]-2-piperidinyl}phenyl)methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.2278302
• LogD (pH = 7.4): 0.4024299
• Log P: 1.929117
• Molar Refractivity: 99.803 cm^3
• Polarizability: 38.259632 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.66
• LOG S: -3.09
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 4