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

• ChemBase ID: 265171
• Molecular Formular: C9H14N4
• Molecular Mass: 178.23426
• Monoisotopic Mass: 178.12184647
• SMILES: N1(c2cnc(N)cc2)CCNCC1
• Canonical SMILES: Nc1ccc(cn1)N1CCNCC1
• InChI: InChI=1S/C9H14N4/c10-9-2-1-8(7-12-9)13-5-3-11-4-6-13/h1-2,7,11H,3-6H2,(H2,10,12)
• InChIKey: VBBGHNGROGZGHG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(piperazin-1-yl)pyridin-2-amine
• IUPAC Traditional name: 5-(piperazin-1-yl)pyridin-2-amine
• Synonyms: 5-(piperazin-1-yl)pyridin-2-amine

Database IDs

• MDL Number: MFCD11604842
• PubChem SID: 164321081
• PubChem CID: 28333457

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.998309
• LogD (pH = 7.4): -1.4917549
• Log P: 0.093220465
• Molar Refractivity: 54.099 cm^3
• Polarizability: 19.870152 Å^3
• Polar Surface Area: 54.18 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 162 - 164°C
• Hydrophobicity(logP): 0.309

Product Information

• Purity: 95%