1-(quinoxalin-2-yl)piperidin-3-amine dihydrochloride

• ChemBase ID: 249248
• Molecular Formular: C13H18Cl2N4
• Molecular Mass: 301.21482
• Monoisotopic Mass: 300.09085196
• SMILES: n1c(N2CC(N)CCC2)cnc2c1cccc2.Cl.Cl
• Canonical SMILES: NC1CCCN(C1)c1cnc2c(n1)cccc2.Cl.Cl
• InChI: InChI=1S/C13H16N4.2ClH/c14-10-4-3-7-17(9-10)13-8-15-11-5-1-2-6-12(11)16-13;;/h1-2,5-6,8,10H,3-4,7,9,14H2;2*1H
• InChIKey: JCOXMZYWKPKPDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(quinoxalin-2-yl)piperidin-3-amine dihydrochloride
• IUPAC Traditional name: 1-(quinoxalin-2-yl)piperidin-3-amine dihydrochloride
• Synonyms: 1-(quinoxalin-2-yl)piperidin-3-amine dihydrochloride

Database IDs

• PubChem SID: 164305158
• PubChem CID: 71758698

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.3433126
• LogD (pH = 7.4): -0.6923866
• Log P: 1.6701605
• Molar Refractivity: 67.3535 cm^3
• Polarizability: 27.230083 Å^3
• Polar Surface Area: 55.04 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.606

Product Information

• Purity: 95%