N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide hydrochloride

• ChemBase ID: 283219
• Molecular Formular: C10H18ClF3N2O
• Molecular Mass: 274.7109296
• Monoisotopic Mass: 274.10597555
• SMILES: C(=O)(N(CC(F)(F)F)CC)C1CNCCC1.Cl
• Canonical SMILES: CCN(C(=O)C1CCCNC1)CC(F)(F)F.Cl
• InChI: InChI=1S/C10H17F3N2O.ClH/c1-2-15(7-10(11,12)13)9(16)8-4-3-5-14-6-8;/h8,14H,2-7H2,1H3;1H
• InChIKey: MFGUGKVVPWASQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide hydrochloride
• IUPAC Traditional name: N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide hydrochloride
• Synonyms: N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide hydrochloride

Database IDs

• MDL Number: MFCD20441768
• PubChem SID: 180668750
• PubChem CID: 54595679

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1975424
• LogD (pH = 7.4): -1.1791095
• Log P: 0.9884533
• Molar Refractivity: 54.7356 cm^3
• Polarizability: 20.536665 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 182 - 184°C
• Hydrophobicity(logP): 1.273

Product Information

• Purity: 95%