4-(piperidin-1-yl)butanimidamide dihydrochloride

• ChemBase ID: 265314
• Molecular Formular: C9H21Cl2N3
• Molecular Mass: 242.18914
• Monoisotopic Mass: 241.11125305
• SMILES: N1(CCCC(=N)N)CCCCC1.Cl.Cl
• Canonical SMILES: NC(=N)CCCN1CCCCC1.Cl.Cl
• InChI: InChI=1S/C9H19N3.2ClH/c10-9(11)5-4-8-12-6-2-1-3-7-12;;/h1-8H2,(H3,10,11);2*1H
• InChIKey: JIWMLJRXHOCTEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(piperidin-1-yl)butanimidamide dihydrochloride
• IUPAC Traditional name: 4-(piperidin-1-yl)butanimidamide dihydrochloride
• Synonyms: 4-(piperidin-1-yl)butanimidamide dihydrochloride

Database IDs

• MDL Number: MFCD16622022
• PubChem SID: 164321224
• PubChem CID: 47002373

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -5.552446
• LogD (pH = 7.4): -4.5241275
• Log P: 0.30707842
• Molar Refractivity: 62.0854 cm^3
• Polarizability: 19.969599 Å^3
• Polar Surface Area: 53.11 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 191 - 193°C
• Hydrophobicity(logP): 0.637

Product Information

• Purity: 95%