2-(piperazin-1-yl)pyridin-3-amine

• ChemBase ID: 114728
• Molecular Formular: C9H14N4
• Molecular Mass: 178.23426
• Monoisotopic Mass: 178.12184647
• SMILES: c1(N2CCNCC2)ncccc1N
• Canonical SMILES: Nc1cccnc1N1CCNCC1
• InChI: InChI=1S/C9H14N4/c10-8-2-1-3-12-9(8)13-6-4-11-5-7-13/h1-3,11H,4-7,10H2
• InChIKey: KZZRPCPYROZNOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperazin-1-yl)pyridin-3-amine
• IUPAC Traditional name: 2-(piperazin-1-yl)pyridin-3-amine
• Synonyms: 2-Piperazin-1-yl-pyridin-3-ylamine

Database IDs

• CAS Number: 87394-62-5
• MDL Number: MFCD09701435
• PubChem SID: 162099768
• PubChem CID: 10397358

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.0539534
• LogD (pH = 7.4): -1.3342661
• Log P: 0.093220465
• Molar Refractivity: 54.099 cm^3
• Polarizability: 19.871826 Å^3
• Polar Surface Area: 54.18 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: -0.423

Product Information

• Purity: 95+%