2-[1-({2-[2-(1H-imidazol-1-yl)ethoxy]phenyl}methyl)piperidin-2-yl]pyridine

• ChemBase ID: 712318
• Molecular Formular: C22H26N4O
• Molecular Mass: 362.46804
• Monoisotopic Mass: 362.21066147
• SMILES: N1(Cc2c(OCCn3cncc3)cccc2)C(c2ncccc2)CCCC1
• Canonical SMILES: C1CCN(C(C1)c1ccccn1)Cc1ccccc1OCCn1cncc1
• InChI: InChI=1S/C22H26N4O/c1-2-10-22(27-16-15-25-14-12-23-18-25)19(7-1)17-26-13-6-4-9-21(26)20-8-3-5-11-24-20/h1-3,5,7-8,10-12,14,18,21H,4,6,9,13,15-17H2
• InChIKey: SHFUUFJBDGCHHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[1-({2-[2-(1H-imidazol-1-yl)ethoxy]phenyl}methyl)piperidin-2-yl]pyridine
• IUPAC Traditional name: 2-[1-({2-[2-(imidazol-1-yl)ethoxy]phenyl}methyl)piperidin-2-yl]pyridine
• Synonyms: 2-(1-{2-[2-(1H-imidazol-1-yl)ethoxy]benzyl}-2-piperidinyl)pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.0190144
• LogD (pH = 7.4): 3.0092268
• Log P: 3.3144932
• Molar Refractivity: 106.8252 cm^3
• Polarizability: 41.564342 Å^3
• Polar Surface Area: 43.18 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.18
• LOG S: -1.4
• Polar Surface Area: 43.18 Å^2
• Rotatable Bonds: 7