1-({3-[3-(1H-imidazol-1-yl)propoxy]phenyl}methyl)-N,N-dimethylpiperidin-3-amine

• ChemBase ID: 670091
• Molecular Formular: C20H30N4O
• Molecular Mass: 342.4784
• Monoisotopic Mass: 342.2419616
• SMILES: N1(CC(N(C)C)CCC1)Cc1cc(OCCCn2cncc2)ccc1
• Canonical SMILES: CN(C1CCCN(C1)Cc1cccc(c1)OCCCn1cncc1)C
• InChI: InChI=1S/C20H30N4O/c1-22(2)19-7-4-10-24(16-19)15-18-6-3-8-20(14-18)25-13-5-11-23-12-9-21-17-23/h3,6,8-9,12,14,17,19H,4-5,7,10-11,13,15-16H2,1-2H3
• InChIKey: QEWVCOAXECJTTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-({3-[3-(1H-imidazol-1-yl)propoxy]phenyl}methyl)-N,N-dimethylpiperidin-3-amine
• IUPAC Traditional name: 1-({3-[3-(imidazol-1-yl)propoxy]phenyl}methyl)-N,N-dimethylpiperidin-3-amine
• Synonyms: 1-{3-[3-(1H-imidazol-1-yl)propoxy]benzyl}-N,N-dimethylpiperidin-3-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.9637848
• LogD (pH = 7.4): -0.089553244
• Log P: 2.208067
• Molar Refractivity: 103.1001 cm^3
• Polarizability: 39.92369 Å^3
• Polar Surface Area: 33.53 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: 1.84
• LOG S: -2.26
• Polar Surface Area: 33.53 Å^2
• Rotatable Bonds: 8