4-(pyridin-2-yl)piperazin-1-amine

• ChemBase ID: 239786
• Molecular Formular: C9H14N4
• Molecular Mass: 178.23426
• Monoisotopic Mass: 178.12184647
• SMILES: N1(c2ncccc2)CCN(CC1)N
• Canonical SMILES: NN1CCN(CC1)c1ccccn1
• InChI: InChI=1S/C9H14N4/c10-13-7-5-12(6-8-13)9-3-1-2-4-11-9/h1-4H,5-8,10H2
• InChIKey: IHQKKOYVYPDVJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(pyridin-2-yl)piperazin-1-amine
• IUPAC Traditional name: 4-(pyridin-2-yl)piperazin-1-amine
• Synonyms: 4-(pyridin-2-yl)piperazin-1-amine

Database IDs

• MDL Number: MFCD02163990
• PubChem SID: 164295696
• PubChem CID: 14096872

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.504621
• LogD (pH = 7.4): 0.2313299
• Log P: 0.2470047
• Molar Refractivity: 53.8827 cm^3
• Polarizability: 20.058256 Å^3
• Polar Surface Area: 45.39 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.176

Product Information

• Purity: 95%