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

• ChemBase ID: 443089
• Molecular Formular: C16H19N3O2
• Molecular Mass: 285.34096
• Monoisotopic Mass: 285.14772686
• SMILES: N1(c2nccnc2)CCC(Oc2c(OC)cccc2)CC1
• Canonical SMILES: COc1ccccc1OC1CCN(CC1)c1cnccn1
• InChI: InChI=1S/C16H19N3O2/c1-20-14-4-2-3-5-15(14)21-13-6-10-19(11-7-13)16-12-17-8-9-18-16/h2-5,8-9,12-13H,6-7,10-11H2,1H3
• InChIKey: FDYUHEKYUAIOAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(2-methoxyphenoxy)piperidin-1-yl]pyrazine
• IUPAC Traditional name: 2-[4-(2-methoxyphenoxy)piperidin-1-yl]pyrazine
• Synonyms: 2-[4-(2-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: 30.944412 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: 2.36
• LOG S: -3.3
• Polar Surface Area: 47.48 Å^2
• Rotatable Bonds: 4