4-benzylpiperidine-1-carboximidamide hydroiodide

• ChemBase ID: 101799
• Molecular Formular: C13H20IN3
• Molecular Mass: 345.22247
• Monoisotopic Mass: 345.07019566
• SMILES: C(=N)(N1CCC(Cc2ccccc2)CC1)N.I
• Canonical SMILES: NC(=N)N1CCC(CC1)Cc1ccccc1.I
• InChI: InChI=1S/C13H19N3.HI/c14-13(15)16-8-6-12(7-9-16)10-11-4-2-1-3-5-11;/h1-5,12H,6-10H2,(H3,14,15);1H
• InChIKey: FIZOSQMUUOLSIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 849776-40-5
• MDL Number: MFCD07355695
• PubChem SID: 162087171
• PubChem CID: 18525933

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.39694095
• LogD (pH = 7.4): -0.39586642
• Log P: 2.0185044
• Molar Refractivity: 77.3147 cm^3
• Polarizability: 25.421175 Å^3
• Polar Surface Area: 53.11 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%