N,N-dimethyl-3-{4-[1-(pyrrolidin-1-yl)ethyl]piperidin-1-yl}pyrazin-2-amine

• ChemBase ID: 751588
• Molecular Formular: C17H29N5
• Molecular Mass: 303.44566
• Monoisotopic Mass: 303.24229595
• SMILES: c1(c(nccn1)N(C)C)N1CCC(C(N2CCCC2)C)CC1
• Canonical SMILES: CC(N1CCCC1)C1CCN(CC1)c1nccnc1N(C)C
• InChI: InChI=1S/C17H29N5/c1-14(21-10-4-5-11-21)15-6-12-22(13-7-15)17-16(20(2)3)18-8-9-19-17/h8-9,14-15H,4-7,10-13H2,1-3H3
• InChIKey: FORCTCFDOMXLNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-3-{4-[1-(pyrrolidin-1-yl)ethyl]piperidin-1-yl}pyrazin-2-amine
• IUPAC Traditional name: N,N-dimethyl-3-{4-[1-(pyrrolidin-1-yl)ethyl]piperidin-1-yl}pyrazin-2-amine
• Synonyms: N,N-dimethyl-3-{4-[1-(1-pyrrolidinyl)ethyl]-1-piperidinyl}-2-pyrazinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.2400916
• LogD (pH = 7.4): -0.8206355
• Log P: 2.2526832
• Molar Refractivity: 93.4573 cm^3
• Polarizability: 34.825188 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: 2.82
• LOG S: -2.81
• Polar Surface Area: 35.5 Å^2
• Rotatable Bonds: 4