4-(3-methylpiperidin-1-yl)butanimidamide dihydrochloride

• ChemBase ID: 266928
• Molecular Formular: C10H23Cl2N3
• Molecular Mass: 256.21572
• Monoisotopic Mass: 255.12690311
• SMILES: N1(CC(CCC1)C)CCCC(=N)N.Cl.Cl
• Canonical SMILES: CC1CCCN(C1)CCCC(=N)N.Cl.Cl
• InChI: InChI=1S/C10H21N3.2ClH/c1-9-4-2-6-13(8-9)7-3-5-10(11)12;;/h9H,2-8H2,1H3,(H3,11,12);2*1H
• InChIKey: DBAPAADHTWPGIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3-methylpiperidin-1-yl)butanimidamide dihydrochloride
• IUPAC Traditional name: 4-(3-methylpiperidin-1-yl)butanimidamide dihydrochloride
• Synonyms: 4-(3-methylpiperidin-1-yl)butanimidamide dihydrochloride

Database IDs

• MDL Number: MFCD16547528
• PubChem SID: 164322838
• PubChem CID: 47002875

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -5.214437
• LogD (pH = 7.4): -4.4156733
• Log P: 0.67205125
• Molar Refractivity: 66.557 cm^3
• Polarizability: 21.813812 Å^3
• Polar Surface Area: 53.11 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 209 - 211°C
• Hydrophobicity(logP): 1.011

Product Information

• Purity: 95%