4-(piperidin-1-yl)piperidine-1-carboximidamide hydroiodide

• ChemBase ID: 77409
• Molecular Formular: C11H23IN4
• Molecular Mass: 338.23159
• Monoisotopic Mass: 338.09674476
• SMILES: N1(CCC(N2CCCCC2)CC1)C(=N)N.I
• Canonical SMILES: NC(=N)N1CCC(CC1)N1CCCCC1.I
• InChI: InChI=1S/C11H22N4.HI/c12-11(13)15-8-4-10(5-9-15)14-6-2-1-3-7-14;/h10H,1-9H2,(H3,12,13);1H
• InChIKey: BOQVOZPIFNVEQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(piperidin-1-yl)piperidine-1-carboximidamide hydroiodide
• IUPAC Traditional name: 4-(piperidin-1-yl)piperidine-1-carboximidamide hydroiodide
• Synonyms: 1,4'-Bipiperidine-1'-carboximidamide hydroiodide 97%; 1,4'-bipiperidine-1'-carboximidamide hydroiodide

Database IDs

• CAS Number: 849776-34-7
• MDL Number: MFCD07368562
• PubChem SID: 162042282
• PubChem CID: 18525927

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -5.677791
• LogD (pH = 7.4): -4.637473
• Log P: 0.1799187
• Molar Refractivity: 73.5212 cm^3
• Polarizability: 24.056778 Å^3
• Polar Surface Area: 56.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 180-182°C

Safety Information

• Storage Warning: Harmful

Product Information

• Purity: 97%