4-(3-fluorophenoxy)-1-[2-(1H-1,2,4-triazol-1-yl)ethyl]piperidine

• ChemBase ID: 343960
• Molecular Formular: C15H19FN4O
• Molecular Mass: 290.3359632
• Monoisotopic Mass: 290.15428947
• SMILES: n1cnn(c1)CCN1CCC(Oc2cc(F)ccc2)CC1
• Canonical SMILES: Fc1cccc(c1)OC1CCN(CC1)CCn1cncn1
• InChI: InChI=1S/C15H19FN4O/c16-13-2-1-3-15(10-13)21-14-4-6-19(7-5-14)8-9-20-12-17-11-18-20/h1-3,10-12,14H,4-9H2
• InChIKey: RCBBZXLFSVMWLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3-fluorophenoxy)-1-[2-(1H-1,2,4-triazol-1-yl)ethyl]piperidine
• IUPAC Traditional name: 4-(3-fluorophenoxy)-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine
• Synonyms: 4-(3-fluorophenoxy)-1-[2-(1H-1,2,4-triazol-1-yl)ethyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.9447386
• LogD (pH = 7.4): 0.82012707
• Log P: 1.5281439
• Molar Refractivity: 90.3552 cm^3
• Polarizability: 29.814394 Å^3
• Polar Surface Area: 43.18 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.89
• LOG S: -1.94
• Polar Surface Area: 43.18 Å^2
• Rotatable Bonds: 5