N-ethylpiperidine-4-carboxamide hydrochloride

• ChemBase ID: 49251
• Molecular Formular: C8H17ClN2O
• Molecular Mass: 192.68638
• Monoisotopic Mass: 192.10294085
• SMILES: C(=O)(C1CCNCC1)NCC.Cl
• Canonical SMILES: CCNC(=O)C1CCNCC1.Cl
• InChI: InChI=1S/C8H16N2O.ClH/c1-2-10-8(11)7-3-5-9-6-4-7;/h7,9H,2-6H2,1H3,(H,10,11);1H
• InChIKey: YYPVQBBUASUJRK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethylpiperidine-4-carboxamide hydrochloride
• IUPAC Traditional name: N-ethylpiperidine-4-carboxamide hydrochloride
• Synonyms: N-ethylpiperidine-4-carboxamide hydrochloride; N-Ethyl-4-piperidinecarboxamide hydrochloride

Database IDs

• MDL Number: MFCD13368255
• PubChem SID: 162054014
• PubChem CID: 13593162

CALCULATED PROPERTIES

• Acid pKa: 16.233868
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.5721984
• LogD (pH = 7.4): -2.9877703
• Log P: -0.34622642
• Molar Refractivity: 44.5428 cm^3
• Polarizability: 17.470844 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 161 - 163°C
• Hydrophobicity(logP): -0.937

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%