4-(piperidin-1-yl)benzene-1-carboximidamide dihydrochloride

• ChemBase ID: 285405
• Molecular Formular: C12H19Cl2N3
• Molecular Mass: 276.20536
• Monoisotopic Mass: 275.09560298
• SMILES: N1(c2ccc(C(=N)N)cc2)CCCCC1.Cl.Cl
• Canonical SMILES: NC(=N)c1ccc(cc1)N1CCCCC1.Cl.Cl
• InChI: InChI=1S/C12H17N3.2ClH/c13-12(14)10-4-6-11(7-5-10)15-8-2-1-3-9-15;;/h4-7H,1-3,8-9H2,(H3,13,14);2*1H
• InChIKey: QUPCNYWXCJGJMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(piperidin-1-yl)benzene-1-carboximidamide dihydrochloride
• IUPAC Traditional name: 4-(piperidin-1-yl)benzenecarboximidamide dihydrochloride
• Synonyms: 4-(piperidin-1-yl)benzene-1-carboximidamide dihydrochloride

Database IDs

• MDL Number: MFCD20731254
• PubChem SID: 180670936
• PubChem CID: 56828160

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.5671227
• LogD (pH = 7.4): -0.5625014
• Log P: 1.8521243
• Molar Refractivity: 74.3011 cm^3
• Polarizability: 23.644041 Å^3
• Polar Surface Area: 53.11 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.544

Product Information

• Purity: 95%