N,N-dimethyl-6-{4-[1-(pyrrolidin-1-yl)ethyl]piperidin-1-yl}pyrazin-2-amine

• ChemBase ID: 409406
• Molecular Formular: C17H29N5
• Molecular Mass: 303.44566
• Monoisotopic Mass: 303.24229595
• SMILES: n1c(N2CCC(C(N3CCCC3)C)CC2)cncc1N(C)C
• Canonical SMILES: CC(N1CCCC1)C1CCN(CC1)c1cncc(n1)N(C)C
• InChI: InChI=1S/C17H29N5/c1-14(21-8-4-5-9-21)15-6-10-22(11-7-15)17-13-18-12-16(19-17)20(2)3/h12-15H,4-11H2,1-3H3
• InChIKey: JXITXKXJAKXGCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-6-{4-[1-(pyrrolidin-1-yl)ethyl]piperidin-1-yl}pyrazin-2-amine
• IUPAC Traditional name: N,N-dimethyl-6-{4-[1-(pyrrolidin-1-yl)ethyl]piperidin-1-yl}pyrazin-2-amine
• Synonyms: N,N-dimethyl-6-{4-[1-(1-pyrrolidinyl)ethyl]-1-piperidinyl}-2-pyrazinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.2415997
• LogD (pH = 7.4): -0.8139692
• Log P: 2.2526832
• Molar Refractivity: 93.4573 cm^3
• Polarizability: 34.824688 Å^3
• Polar Surface Area: 35.5 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: 3.37
• LOG S: -3.28
• Polar Surface Area: 35.5 Å^2
• Rotatable Bonds: 4