1-{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}-4,4-dimethylpiperidine

• ChemBase ID: 447680
• Molecular Formular: C14H25N3O
• Molecular Mass: 251.3678
• Monoisotopic Mass: 251.19976244
• SMILES: c1(n(ccn1)CCOC)CN1CCC(CC1)(C)C
• Canonical SMILES: COCCn1ccnc1CN1CCC(CC1)(C)C
• InChI: InChI=1S/C14H25N3O/c1-14(2)4-7-16(8-5-14)12-13-15-6-9-17(13)10-11-18-3/h6,9H,4-5,7-8,10-12H2,1-3H3
• InChIKey: CMUFWZWJTDYOFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}-4,4-dimethylpiperidine
• IUPAC Traditional name: 1-{[1-(2-methoxyethyl)imidazol-2-yl]methyl}-4,4-dimethylpiperidine
• Synonyms: 1-{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}-4,4-dimethylpiperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.53624535
• LogD (pH = 7.4): 1.0539501
• Log P: 1.4834719
• Molar Refractivity: 73.9884 cm^3
• Polarizability: 28.805101 Å^3
• Polar Surface Area: 30.29 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.16
• LOG S: -1.87
• Polar Surface Area: 30.29 Å^2
• Rotatable Bonds: 5