2-[4-(benzyloxy)piperidin-1-yl]pyrazine

• ChemBase ID: 698355
• Molecular Formular: C16H19N3O
• Molecular Mass: 269.34156
• Monoisotopic Mass: 269.15281224
• SMILES: N1(c2nccnc2)CCC(CC1)OCc1ccccc1
• Canonical SMILES: c1ccc(cc1)COC1CCN(CC1)c1cnccn1
• InChI: InChI=1S/C16H19N3O/c1-2-4-14(5-3-1)13-20-15-6-10-19(11-7-15)16-12-17-8-9-18-16/h1-5,8-9,12,15H,6-7,10-11,13H2
• InChIKey: SESYVNSRGGELSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(benzyloxy)piperidin-1-yl]pyrazine
• IUPAC Traditional name: 2-[4-(benzyloxy)piperidin-1-yl]pyrazine
• Synonyms: 2-[4-(benzyloxy)-1-piperidinyl]pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.9259485
• LogD (pH = 7.4): 1.9260602
• Log P: 1.9260615
• Molar Refractivity: 79.5744 cm^3
• Polarizability: 30.278242 Å^3
• Polar Surface Area: 38.25 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: 2.5
• LOG S: -3.3
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 4