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

• ChemBase ID: 496274
• Molecular Formular: C16H19N3O2
• Molecular Mass: 285.34096
• Monoisotopic Mass: 285.14772686
• SMILES: N1(c2nccnc2)CCC(CC1)Oc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)OC1CCN(CC1)c1nccnc1
• InChI: InChI=1S/C16H19N3O2/c1-20-13-2-4-14(5-3-13)21-15-6-10-19(11-7-15)16-12-17-8-9-18-16/h2-5,8-9,12,15H,6-7,10-11H2,1H3
• InChIKey: YGZAHLVLXMYBPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.7348292
• LogD (pH = 7.4): 1.7349409
• Log P: 1.7349423
• Molar Refractivity: 80.9337 cm^3
• Polarizability: 30.941978 Å^3
• Polar Surface Area: 47.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.5
• LOG S: -3.42
• Polar Surface Area: 47.48 Å^2
• Rotatable Bonds: 4