4-ethoxy-1-[(1-propyl-1H-imidazol-2-yl)methyl]piperidine

• ChemBase ID: 518678
• Molecular Formular: C14H25N3O
• Molecular Mass: 251.3678
• Monoisotopic Mass: 251.19976244
• SMILES: c1(n(ccn1)CCC)CN1CCC(CC1)OCC
• Canonical SMILES: CCOC1CCN(CC1)Cc1nccn1CCC
• InChI: InChI=1S/C14H25N3O/c1-3-8-17-11-7-15-14(17)12-16-9-5-13(6-10-16)18-4-2/h7,11,13H,3-6,8-10,12H2,1-2H3
• InChIKey: QZFNVZANSDCPGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethoxy-1-[(1-propyl-1H-imidazol-2-yl)methyl]piperidine
• IUPAC Traditional name: 4-ethoxy-1-[(1-propylimidazol-2-yl)methyl]piperidine
• Synonyms: 4-ethoxy-1-[(1-propyl-1H-imidazol-2-yl)methyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.2789152
• LogD (pH = 7.4): 1.0916166
• Log P: 1.2903395
• Molar Refractivity: 74.2759 cm^3
• Polarizability: 28.805262 Å^3
• Polar Surface Area: 30.29 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.9
• LOG S: -1.65
• Polar Surface Area: 30.29 Å^2
• Rotatable Bonds: 6