piperidine-1-carboximidamide hydroiodide

• ChemBase ID: 82340
• Molecular Formular: C6H14IN3
• Molecular Mass: 255.09993
• Monoisotopic Mass: 255.02324546
• SMILES: N1(C(=N)N)CCCCC1.I
• Canonical SMILES: NC(=N)N1CCCCC1.I
• InChI: InChI=1S/C6H13N3.HI/c7-6(8)9-4-2-1-3-5-9;/h1-5H2,(H3,7,8);1H
• InChIKey: MKDZAWNSOJLXKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: piperidine-1-carboximidamide hydroiodide
• IUPAC Traditional name: piperidine-1-carboximidamide hydroiodide
• Synonyms: piperidine-1-carboximidamide hydroiodide

Database IDs

• CAS Number: 102392-91-6
• MDL Number: MFCD00114187
• PubChem SID: 162069459
• PubChem CID: 2778397

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.2623415
• LogD (pH = 7.4): -2.2619586
• Log P: 0.15311258
• Molar Refractivity: 48.0701 cm^3
• Polarizability: 14.052864 Å^3
• Polar Surface Area: 53.11 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%