1-methyl-4-(3-methylpyridin-2-yl)piperazine

• ChemBase ID: 290845
• Molecular Formular: C11H17N3
• Molecular Mass: 191.27278
• Monoisotopic Mass: 191.14224756
• SMILES: Cc1cccnc1N1CCN(C)CC1
• Canonical SMILES: CN1CCN(CC1)c1ncccc1C
• InChI: InChI=1S/C11H17N3/c1-10-4-3-5-12-11(10)14-8-6-13(2)7-9-14/h3-5H,6-9H2,1-2H3
• InChIKey: ZXHBYUGQYALQNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-4-(3-methylpyridin-2-yl)piperazine
• IUPAC Traditional name: 1-methyl-4-(3-methylpyridin-2-yl)piperazine
• Synonyms: 1-Methyl-4-(3-methylpyridin-2-yl)piperazine

Database IDs

• CAS Number: 1187386-43-1
• PubChem SID: 180676376
• PubChem CID: 46739573

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.49381655
• LogD (pH = 7.4): 1.4596272
• Log P: 1.8186158
• Molar Refractivity: 59.7345 cm^3
• Polarizability: 22.34553 Å^3
• Polar Surface Area: 19.37 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%