N-(4-aminocyclohexyl)piperidine-4-carboxamide dihydrochloride

• ChemBase ID: 282334
• Molecular Formular: C12H25Cl2N3O
• Molecular Mass: 298.2524
• Monoisotopic Mass: 297.1374678
• SMILES: C(=O)(NC1CCC(N)CC1)C1CCNCC1.Cl.Cl
• Canonical SMILES: NC1CCC(CC1)NC(=O)C1CCNCC1.Cl.Cl
• InChI: InChI=1S/C12H23N3O.2ClH/c13-10-1-3-11(4-2-10)15-12(16)9-5-7-14-8-6-9;;/h9-11,14H,1-8,13H2,(H,15,16);2*1H
• InChIKey: DZXXFXKXZGBFDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-aminocyclohexyl)piperidine-4-carboxamide dihydrochloride
• IUPAC Traditional name: N-(4-aminocyclohexyl)piperidine-4-carboxamide dihydrochloride
• Synonyms: N-(4-aminocyclohexyl)piperidine-4-carboxamide dihydrochloride

Database IDs

• MDL Number: MFCD20501928
• PubChem SID: 180667865
• PubChem CID: 54595429

CALCULATED PROPERTIES

• Acid pKa: 16.06483
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -6.64613
• LogD (pH = 7.4): -5.60843
• Log P: -0.39736417
• Molar Refractivity: 64.1354 cm^3
• Polarizability: 25.634712 Å^3
• Polar Surface Area: 67.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 289 - 291°C
• Hydrophobicity(logP): -1.422

Product Information

• Purity: 95%