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

• ChemBase ID: 283203
• Molecular Formular: C9H16ClF3N2O
• Molecular Mass: 260.6843496
• Monoisotopic Mass: 260.09032548
• SMILES: C(=O)(N(CC(F)(F)F)C)C1CNCCC1.Cl
• Canonical SMILES: O=C(N(CC(F)(F)F)C)C1CCCNC1.Cl
• InChI: InChI=1S/C9H15F3N2O.ClH/c1-14(6-9(10,11)12)8(15)7-3-2-4-13-5-7;/h7,13H,2-6H2,1H3;1H
• InChIKey: CXSAXLWIXDWXDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD20441766
• PubChem SID: 180668734
• PubChem CID: 54595672

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5543513
• LogD (pH = 7.4): -1.5359242
• Log P: 0.6316454
• Molar Refractivity: 49.987 cm^3
• Polarizability: 18.739983 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.744

Product Information

• Purity: 95%