N-(pyridin-4-yl)piperidine-4-carboxamide dihydrochloride

• ChemBase ID: 256235
• Molecular Formular: C11H17Cl2N3O
• Molecular Mass: 278.17818
• Monoisotopic Mass: 277.07486754
• SMILES: C(=O)(Nc1ccncc1)C1CCNCC1.Cl.Cl
• Canonical SMILES: O=C(C1CCNCC1)Nc1ccncc1.Cl.Cl
• InChI: InChI=1S/C11H15N3O.2ClH/c15-11(9-1-5-12-6-2-9)14-10-3-7-13-8-4-10;;/h3-4,7-9,12H,1-2,5-6H2,(H,13,14,15);2*1H
• InChIKey: KXGXFMGPNHWOSU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(pyridin-4-yl)piperidine-4-carboxamide dihydrochloride
• IUPAC Traditional name: N-(pyridin-4-yl)piperidine-4-carboxamide dihydrochloride
• Synonyms: N-pyridin-4-ylpiperidine-4-carboxamide dihydrochloride

Database IDs

• MDL Number: MFCD10686814
• PubChem SID: 164312145
• PubChem CID: 42943666

CALCULATED PROPERTIES

• Acid pKa: 13.43722
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.4559834
• LogD (pH = 7.4): -2.551645
• Log P: 0.096861646
• Molar Refractivity: 59.1957 cm^3
• Polarizability: 22.471098 Å^3
• Polar Surface Area: 54.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 297 - 299°C
• Hydrophobicity(logP): 0.104

Product Information

• Purity: 95%