2-(piperazin-1-ylmethyl)pyrazine

• ChemBase ID: 245499
• Molecular Formular: C9H14N4
• Molecular Mass: 178.23426
• Monoisotopic Mass: 178.12184647
• SMILES: N1(Cc2nccnc2)CCNCC1
• Canonical SMILES: N1CCN(CC1)Cc1nccnc1
• InChI: InChI=1S/C9H14N4/c1-2-12-9(7-11-1)8-13-5-3-10-4-6-13/h1-2,7,10H,3-6,8H2
• InChIKey: UMSBILFYXUYRGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperazin-1-ylmethyl)pyrazine
• IUPAC Traditional name: 2-(piperazin-1-ylmethyl)pyrazine
• Synonyms: 2-(piperazin-1-ylmethyl)pyrazine

Database IDs

• MDL Number: MFCD04973504
• PubChem SID: 164301409
• PubChem CID: 43439447

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -4.0923176
• LogD (pH = 7.4): -2.7794657
• Log P: -0.97515875
• Molar Refractivity: 50.5201 cm^3
• Polarizability: 20.062855 Å^3
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.579

Product Information

• Purity: 95%