{1-[(1-benzyl-1H-imidazol-2-yl)methyl]-3-ethylpiperidin-3-yl}methanol

• ChemBase ID: 862152
• Molecular Formular: C19H27N3O
• Molecular Mass: 313.43718
• Monoisotopic Mass: 313.2154125
• SMILES: c1(n(ccn1)Cc1ccccc1)CN1CC(CO)(CCC1)CC
• Canonical SMILES: CCC1(CO)CCCN(C1)Cc1nccn1Cc1ccccc1
• InChI: InChI=1S/C19H27N3O/c1-2-19(16-23)9-6-11-21(15-19)14-18-20-10-12-22(18)13-17-7-4-3-5-8-17/h3-5,7-8,10,12,23H,2,6,9,11,13-16H2,1H3
• InChIKey: WFBHNXNAGZXVSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {1-[(1-benzyl-1H-imidazol-2-yl)methyl]-3-ethylpiperidin-3-yl}methanol
• IUPAC Traditional name: {1-[(1-benzylimidazol-2-yl)methyl]-3-ethylpiperidin-3-yl}methanol
• Synonyms: {1-[(1-benzyl-1H-imidazol-2-yl)methyl]-3-ethylpiperidin-3-yl}methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.071732
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.8160235
• LogD (pH = 7.4): 2.2967963
• Log P: 2.5746255
• Molar Refractivity: 93.7792 cm^3
• Polarizability: 36.49807 Å^3
• Polar Surface Area: 41.29 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.8
• LOG S: -2.87
• Polar Surface Area: 41.29 Å^2
• Rotatable Bonds: 6