N-[2-(diethylamino)ethyl]piperidine-4-carboxamide hydrochloride

• ChemBase ID: 257313
• Molecular Formular: C12H26ClN3O
• Molecular Mass: 263.80734
• Monoisotopic Mass: 263.17644015
• SMILES: C(=O)(NCCN(CC)CC)C1CCNCC1.Cl
• Canonical SMILES: CCN(CCNC(=O)C1CCNCC1)CC.Cl
• InChI: InChI=1S/C12H25N3O.ClH/c1-3-15(4-2)10-9-14-12(16)11-5-7-13-8-6-11;/h11,13H,3-10H2,1-2H3,(H,14,16);1H
• InChIKey: ZPEUEQYXFLOLPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(diethylamino)ethyl]piperidine-4-carboxamide hydrochloride
• IUPAC Traditional name: N-[2-(diethylamino)ethyl]piperidine-4-carboxamide hydrochloride
• Synonyms: N-[2-(diethylamino)ethyl]piperidine-4-carboxamide hydrochloride

Database IDs

• MDL Number: MFCD11099659
• PubChem SID: 164313223
• PubChem CID: 42935483

CALCULATED PROPERTIES

• Acid pKa: 16.286573
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -6.4184084
• LogD (pH = 7.4): -4.2608767
• Log P: 0.029226057
• Molar Refractivity: 67.3105 cm^3
• Polarizability: 26.364353 Å^3
• Polar Surface Area: 44.37 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 211 - 213°C
• Hydrophobicity(logP): 0.237

Product Information

• Purity: 95%