3-methyl-1-(6-methylpyridin-2-yl)piperazine

• ChemBase ID: 275106
• Molecular Formular: C11H17N3
• Molecular Mass: 191.27278
• Monoisotopic Mass: 191.14224756
• SMILES: N1(c2nc(ccc2)C)CC(NCC1)C
• Canonical SMILES: CC1NCCN(C1)c1cccc(n1)C
• InChI: InChI=1S/C11H17N3/c1-9-4-3-5-11(13-9)14-7-6-12-10(2)8-14/h3-5,10,12H,6-8H2,1-2H3
• InChIKey: YCMYTWGABUXSEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-1-(6-methylpyridin-2-yl)piperazine
• IUPAC Traditional name: 3-methyl-1-(6-methylpyridin-2-yl)piperazine
• Synonyms: 3-methyl-1-(6-methylpyridin-2-yl)piperazine

Database IDs

• MDL Number: MFCD16766154
• PubChem SID: 164331016
• PubChem CID: 53427222

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7930931
• LogD (pH = 7.4): -0.024797605
• Log P: 1.4700916
• Molar Refractivity: 58.4089 cm^3
• Polarizability: 22.34564 Å^3
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.654

Product Information

• Purity: 95%