4-[3-(1-butyl-1H-imidazol-2-yl)piperidin-1-yl]pyridine

• ChemBase ID: 325782
• Molecular Formular: C17H24N4
• Molecular Mass: 284.39926
• Monoisotopic Mass: 284.20009679
• SMILES: c1(C2CN(c3ccncc3)CCC2)n(ccn1)CCCC
• Canonical SMILES: CCCCn1ccnc1C1CCCN(C1)c1ccncc1
• InChI: InChI=1S/C17H24N4/c1-2-3-11-20-13-10-19-17(20)15-5-4-12-21(14-15)16-6-8-18-9-7-16/h6-10,13,15H,2-5,11-12,14H2,1H3
• InChIKey: SRXAKRMJLNDTNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[3-(1-butyl-1H-imidazol-2-yl)piperidin-1-yl]pyridine
• IUPAC Traditional name: 4-[3-(1-butylimidazol-2-yl)piperidin-1-yl]pyridine
• Synonyms: 4-[3-(1-butyl-1H-imidazol-2-yl)-1-piperidinyl]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.9303275
• LogD (pH = 7.4): 1.8904462
• Log P: 2.8413966
• Molar Refractivity: 86.1377 cm^3
• Polarizability: 32.662983 Å^3
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.54
• LOG S: -3.44
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 5