4-(pyridin-2-yl)piperazine-1-carboximidamide hydrochloride

• ChemBase ID: 235482
• Molecular Formular: C10H16ClN5
• Molecular Mass: 241.72054
• Monoisotopic Mass: 241.10942322
• SMILES: C(=N)(N1CCN(c2ncccc2)CC1)N.Cl
• Canonical SMILES: NC(=N)N1CCN(CC1)c1ccccn1.Cl
• InChI: InChI=1S/C10H15N5.ClH/c11-10(12)15-7-5-14(6-8-15)9-3-1-2-4-13-9;/h1-4H,5-8H2,(H3,11,12);1H
• InChIKey: JGKFPIJCNWEHBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(pyridin-2-yl)piperazine-1-carboximidamide hydrochloride
• IUPAC Traditional name: 4-(pyridin-2-yl)piperazine-1-carboximidamide hydrochloride
• Synonyms: 4-(pyridin-2-yl)piperazine-1-carboximidamide hydrochloride

Database IDs

• MDL Number: MFCD22056426
• PubChem SID: 164291392
• PubChem CID: 71755525

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -2.3006542
• LogD (pH = 7.4): -2.0011923
• Log P: 0.41777134
• Molar Refractivity: 70.6333 cm^3
• Polarizability: 22.05019 Å^3
• Polar Surface Area: 69.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 181 - 183°C
• Hydrophobicity(logP): 0.0060

Product Information

• Purity: 95%