3-(piperidin-1-yl)propanimidamide dihydrochloride

• ChemBase ID: 264444
• Molecular Formular: C8H19Cl2N3
• Molecular Mass: 228.16256
• Monoisotopic Mass: 227.09560298
• SMILES: C(=N)(CCN1CCCCC1)N.Cl.Cl
• Canonical SMILES: NC(=N)CCN1CCCCC1.Cl.Cl
• InChI: InChI=1S/C8H17N3.2ClH/c9-8(10)4-7-11-5-2-1-3-6-11;;/h1-7H2,(H3,9,10);2*1H
• InChIKey: UHXILJNSXBHMQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(piperidin-1-yl)propanimidamide dihydrochloride
• IUPAC Traditional name: 3-(piperidin-1-yl)propanimidamide dihydrochloride
• Synonyms: 3-(piperidin-1-yl)propanimidamide dihydrochloride

Database IDs

• MDL Number: MFCD22741324
• PubChem SID: 164320354
• PubChem CID: 71758724

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -5.597667
• LogD (pH = 7.4): -4.003256
• Log P: 0.018417208
• Molar Refractivity: 57.3304 cm^3
• Polarizability: 18.12591 Å^3
• Polar Surface Area: 53.11 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 164 - 166°C
• Hydrophobicity(logP): 0.452

Product Information

• Purity: 95%