1-(6-methoxypyridin-2-yl)piperazine

• ChemBase ID: 297670
• Molecular Formular: C10H15N3O
• Molecular Mass: 193.2456
• Monoisotopic Mass: 193.12151212
• SMILES: COc1cccc(n1)N1CCNCC1
• Canonical SMILES: COc1cccc(n1)N1CCNCC1
• InChI: InChI=1S/C10H15N3O/c1-14-10-4-2-3-9(12-10)13-7-5-11-6-8-13/h2-4,11H,5-8H2,1H3
• InChIKey: OILYGSQXSLUZSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(6-methoxypyridin-2-yl)piperazine
• IUPAC Traditional name: 1-(6-methoxypyridin-2-yl)piperazine
• Synonyms: 1-(6-Methoxy-2-pyridyl)piperazine; 1-(6-METHOXY-PYRIDIN-2-YL)-PIPERAZINE; 1-(6-甲氧基-2-吡啶基)哌嗪

Database IDs

• CAS Number: 51047-54-2
• MDL Number: MFCD06738851
• PubChem SID: 180683201
• PubChem CID: 12200470

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.6013787
• LogD (pH = 7.4): -0.032840617
• Log P: 1.3589327
• Molar Refractivity: 56.1753 cm^3
• Polarizability: 21.253336 Å^3
• Polar Surface Area: 37.39 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 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: 97%; 98%