4-phenylpiperazine-1-carboximidamide

• ChemBase ID: 307539
• Molecular Formular: C11H16N4
• Molecular Mass: 204.27154
• Monoisotopic Mass: 204.13749653
• SMILES: C(=N)(N1CCN(CC1)c1ccccc1)N
• Canonical SMILES: NC(=N)N1CCN(CC1)c1ccccc1
• InChI: InChI=1S/C11H16N4/c12-11(13)15-8-6-14(7-9-15)10-4-2-1-3-5-10/h1-5H,6-9H2,(H3,12,13)
• InChIKey: UKEDWUWFALDTHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-phenylpiperazine-1-carboximidamide
• IUPAC Traditional name: 4-phenylpiperazine-1-carboximidamide
• Synonyms: 4-phenylpiperazine-1-carboximidamide

Database IDs

• CAS Number: 17238-58-3
• MDL Number: MFCD02931327

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.3747027
• LogD (pH = 7.4): -1.3727574
• Log P: 1.0409862
• Molar Refractivity: 72.4767 cm^3
• Polarizability: 22.944836 Å^3
• Polar Surface Area: 56.35 Å^2