4-{3-[1-(cyclobutylmethyl)-1H-imidazol-2-yl]piperidin-1-yl}pyridine

• ChemBase ID: 435009
• Molecular Formular: C18H24N4
• Molecular Mass: 296.40996
• Monoisotopic Mass: 296.20009679
• SMILES: c1(n(ccn1)CC1CCC1)C1CN(c2ccncc2)CCC1
• Canonical SMILES: C1CC(C1)Cn1ccnc1C1CCCN(C1)c1ccncc1
• InChI: InChI=1S/C18H24N4/c1-3-15(4-1)13-22-12-10-20-18(22)16-5-2-11-21(14-16)17-6-8-19-9-7-17/h6-10,12,15-16H,1-5,11,13-14H2
• InChIKey: MSOYSEWGMRJLEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.83212376
• LogD (pH = 7.4): 1.7921324
• Log P: 2.7426436
• Molar Refractivity: 88.8071 cm^3
• Polarizability: 33.774326 Å^3
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.41
• LOG S: -3.42
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 4