N-[2-(pyrazin-2-yl)ethyl]-1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-amine

• ChemBase ID: 864521
• Molecular Formular: C17H20F3N5
• Molecular Mass: 351.3694096
• Monoisotopic Mass: 351.16708033
• SMILES: C(c1cnc(N2CCC(CC2)NCCc2nccnc2)cc1)(F)(F)F
• Canonical SMILES: FC(c1ccc(nc1)N1CCC(CC1)NCCc1cnccn1)(F)F
• InChI: InChI=1S/C17H20F3N5/c18-17(19,20)13-1-2-16(24-11-13)25-9-4-14(5-10-25)22-6-3-15-12-21-7-8-23-15/h1-2,7-8,11-12,14,22H,3-6,9-10H2
• InChIKey: CQSJVNFZWCKCLJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(pyrazin-2-yl)ethyl]-1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-amine
• IUPAC Traditional name: N-[2-(pyrazin-2-yl)ethyl]-1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-amine
• Synonyms: N-(2-pyrazin-2-ylethyl)-1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.8025526
• LogD (pH = 7.4): -0.67244136
• Log P: 1.5872943
• Molar Refractivity: 89.2493 cm^3
• Polarizability: 33.039482 Å^3
• Polar Surface Area: 53.94 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.87
• LOG S: -2.35
• Polar Surface Area: 53.94 Å^2
• Rotatable Bonds: 6