4-cyclohexylpiperazine-1-carboximidamide hydroiodide

• ChemBase ID: 101797
• Molecular Formular: C11H23IN4
• Molecular Mass: 338.23159
• Monoisotopic Mass: 338.09674476
• SMILES: C(=N)(N1CCN(CC1)C1CCCCC1)N.I
• Canonical SMILES: NC(=N)N1CCN(CC1)C1CCCCC1.I
• InChI: InChI=1S/C11H22N4.HI/c12-11(13)15-8-6-14(7-9-15)10-4-2-1-3-5-10;/h10H,1-9H2,(H3,12,13);1H
• InChIKey: PYPAGNOKJZMBJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-cyclohexylpiperazine-1-carboximidamide hydroiodide
• IUPAC Traditional name: 4-cyclohexylpiperazine-1-carboximidamide hydroiodide
• Synonyms: 4-cyclohexylpiperazine-1-carboximidamide hydroiodide

Database IDs

• CAS Number: 849776-37-0
• MDL Number: MFCD07368564
• PubChem SID: 162087170
• PubChem CID: 18525930

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.8069181
• LogD (pH = 7.4): -2.06051
• Log P: 0.94913656
• Molar Refractivity: 72.9924 cm^3
• Polarizability: 24.056778 Å^3
• Polar Surface Area: 56.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%