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

• ChemBase ID: 285406
• Molecular Formular: C12H19Cl2N3O
• Molecular Mass: 292.20476
• Monoisotopic Mass: 291.0905176
• SMILES: N1(c2ccc(C(=N)N)cc2)CCC(CC1)O.Cl.Cl
• Canonical SMILES: OC1CCN(CC1)c1ccc(cc1)C(=N)N.Cl.Cl
• InChI: InChI=1S/C12H17N3O.2ClH/c13-12(14)9-1-3-10(4-2-9)15-7-5-11(16)6-8-15;;/h1-4,11,16H,5-8H2,(H3,13,14);2*1H
• InChIKey: PKKVUELMZXUBFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD20731255
• PubChem SID: 180670937
• PubChem CID: 56828161

CALCULATED PROPERTIES

• Acid pKa: 15.178784
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -2.0966473
• LogD (pH = 7.4): -2.0947716
• Log P: 0.31981775
• Molar Refractivity: 75.8834 cm^3
• Polarizability: 24.254965 Å^3
• Polar Surface Area: 73.34 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 229 - 231°C
• Hydrophobicity(logP): -0.543

Product Information

• Purity: 95%