4-(ethylamino)piperidine-4-carboxamide dihydrochloride

• ChemBase ID: 238578
• Molecular Formular: C8H19Cl2N3O
• Molecular Mass: 244.16196
• Monoisotopic Mass: 243.0905176
• SMILES: C(=O)(C1(NCC)CCNCC1)N.Cl.Cl
• Canonical SMILES: CCNC1(CCNCC1)C(=O)N.Cl.Cl
• InChI: InChI=1S/C8H17N3O.2ClH/c1-2-11-8(7(9)12)3-5-10-6-4-8;;/h10-11H,2-6H2,1H3,(H2,9,12);2*1H
• InChIKey: YLGWBFCUYNJFTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22375413
• PubChem SID: 164294488
• PubChem CID: 71756194

CALCULATED PROPERTIES

• Acid pKa: 16.44274
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -6.3223534
• LogD (pH = 7.4): -4.128258
• Log P: -1.2931244
• Molar Refractivity: 47.545 cm^3
• Polarizability: 18.999018 Å^3
• Polar Surface Area: 67.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 279 - 281°C
• Hydrophobicity(logP): -1.489

Product Information

• Purity: 95%