2-(4-ethylpiperazin-1-yl)pyridin-3-amine

• ChemBase ID: 114729
• Molecular Formular: C11H18N4
• Molecular Mass: 206.28742
• Monoisotopic Mass: 206.1531466
• SMILES: N1(c2ncccc2N)CCN(CC1)CC
• Canonical SMILES: CCN1CCN(CC1)c1ncccc1N
• InChI: InChI=1S/C11H18N4/c1-2-14-6-8-15(9-7-14)11-10(12)4-3-5-13-11/h3-5H,2,6-9,12H2,1H3
• InChIKey: QARWJYSMYHGOJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-ethylpiperazin-1-yl)pyridin-3-amine
• IUPAC Traditional name: 2-(4-ethylpiperazin-1-yl)pyridin-3-amine
• Synonyms: 2-(4-Ethylpiperazin-1-yl)pyridin-3-amine

Database IDs

• MDL Number: MFCD08700156
• PubChem SID: 162099944
• PubChem CID: 16795363

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.7383645
• LogD (pH = 7.4): 0.3281067
• Log P: 0.83307636
• Molar Refractivity: 64.1423 cm^3
• Polarizability: 23.55697 Å^3
• Polar Surface Area: 45.39 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.186

Product Information

• Purity: 95+%