1-(pyridine-4-carbonyl)piperidin-4-amine dihydrochloride

• ChemBase ID: 258301
• Molecular Formular: C11H17Cl2N3O
• Molecular Mass: 278.17818
• Monoisotopic Mass: 277.07486754
• SMILES: C(=O)(N1CCC(CC1)N)c1ccncc1.Cl.Cl
• Canonical SMILES: NC1CCN(CC1)C(=O)c1ccncc1.Cl.Cl
• InChI: InChI=1S/C11H15N3O.2ClH/c12-10-3-7-14(8-4-10)11(15)9-1-5-13-6-2-9;;/h1-2,5-6,10H,3-4,7-8,12H2;2*1H
• InChIKey: IEMVQVGVQLRTMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyridine-4-carbonyl)piperidin-4-amine dihydrochloride
• IUPAC Traditional name: 1-(pyridine-4-carbonyl)piperidin-4-amine dihydrochloride
• Synonyms: 1-isonicotinoylpiperidin-4-amine dihydrochloride

Database IDs

• MDL Number: MFCD11802522
• PubChem SID: 164314211
• PubChem CID: 42937266

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.7559543
• LogD (pH = 7.4): -3.1841774
• Log P: -0.7352564
• Molar Refractivity: 58.1547 cm^3
• Polarizability: 22.268112 Å^3
• Polar Surface Area: 59.22 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 269 - 271°C
• Hydrophobicity(logP): -1.288

Product Information

• Purity: 95%