4-benzylpiperazine-1-carboximidamide

• ChemBase ID: 309825
• Molecular Formular: C12H18N4
• Molecular Mass: 218.29812
• Monoisotopic Mass: 218.1531466
• SMILES: C(=N)(N1CCN(Cc2ccccc2)CC1)N
• Canonical SMILES: NC(=N)N1CCN(CC1)Cc1ccccc1
• InChI: InChI=1S/C12H18N4/c13-12(14)16-8-6-15(7-9-16)10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H3,13,14)
• InChIKey: GQXJKWWOHZLFEG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-benzylpiperazine-1-carboximidamide
• IUPAC Traditional name: 4-benzylpiperazine-1-carboximidamide
• Synonyms: 4-benzyl-1-piperazinecarboximidamide

Database IDs

• CAS Number: 7773-69-5
• MDL Number: MFCD00778799

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.76349
• LogD (pH = 7.4): -1.6174134
• Log P: 0.87433916
• Molar Refractivity: 76.5908 cm^3
• Polarizability: 25.17584 Å^3
• Polar Surface Area: 56.35 Å^2