4-(1-methyl-1H-imidazol-2-yl)-1-[2-(oxolan-3-yl)ethyl]piperidine

• ChemBase ID: 826312
• Molecular Formular: C15H25N3O
• Molecular Mass: 263.3785
• Monoisotopic Mass: 263.19976244
• SMILES: c1(n(ccn1)C)C1CCN(CC1)CCC1COCC1
• Canonical SMILES: Cn1ccnc1C1CCN(CC1)CCC1COCC1
• InChI: InChI=1S/C15H25N3O/c1-17-10-6-16-15(17)14-3-8-18(9-4-14)7-2-13-5-11-19-12-13/h6,10,13-14H,2-5,7-9,11-12H2,1H3
• InChIKey: NRXFIZSHDABBIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1-methyl-1H-imidazol-2-yl)-1-[2-(oxolan-3-yl)ethyl]piperidine
• IUPAC Traditional name: 4-(1-methylimidazol-2-yl)-1-[2-(oxolan-3-yl)ethyl]piperidine
• Synonyms: 4-(1-methyl-1H-imidazol-2-yl)-1-[2-(tetrahydro-3-furanyl)ethyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -3.0213697
• LogD (pH = 7.4): -1.0594555
• Log P: 1.1099292
• Molar Refractivity: 77.37 cm^3
• Polarizability: 29.841743 Å^3
• Polar Surface Area: 30.29 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.7
• LOG S: -0.71
• Polar Surface Area: 30.29 Å^2
• Rotatable Bonds: 4