1-(5-methylpyridin-2-yl)piperazine

• ChemBase ID: 66958
• Molecular Formular: C10H15N3
• Molecular Mass: 177.2462
• Monoisotopic Mass: 177.1265975
• SMILES: N1(CCNCC1)c1ccc(cn1)C
• Canonical SMILES: Cc1ccc(nc1)N1CCNCC1
• InChI: InChI=1S/C10H15N3/c1-9-2-3-10(12-8-9)13-6-4-11-5-7-13/h2-3,8,11H,4-7H2,1H3
• InChIKey: QDRKPHJFMGUXPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-methylpyridin-2-yl)piperazine
• IUPAC Traditional name: 1-(5-methylpyridin-2-yl)piperazine
• Synonyms: 1-(5-Methylpyridin-2-yl)piperazine; 1-(5-Methyl-2-pyridinyl)piperazine; 1-(5-Methylpyridin-2-yl)piperazine; 1-(5-Methyl-2-pyridyl)piperazine; 1-(5-甲基-2-吡啶基)哌嗪

Database IDs

• CAS Number: 104395-86-0
• MDL Number: MFCD08061050
• PubChem SID: 162032694
• PubChem CID: 11480779

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.6593183
• LogD (pH = 7.4): 0.017674923
• Log P: 1.4355679
• Molar Refractivity: 54.4398 cm^3
• Polarizability: 20.500105 Å^3
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95+%; 97%