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

• ChemBase ID: 283186
• Molecular Formular: C11H20ClF3N2O
• Molecular Mass: 288.7375096
• Monoisotopic Mass: 288.12162561
• SMILES: C(=O)(N(CC(F)(F)F)CCC)C1CNCCC1.Cl
• Canonical SMILES: CCCN(C(=O)C1CCCNC1)CC(F)(F)F.Cl
• InChI: InChI=1S/C11H19F3N2O.ClH/c1-2-6-16(8-11(12,13)14)10(17)9-4-3-5-15-7-9;/h9,15H,2-8H2,1H3;1H
• InChIKey: RPFVLJRJZLAJFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD20501955
• PubChem SID: 180668717
• PubChem CID: 54595658

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6750201
• LogD (pH = 7.4): -0.65658695
• Log P: 1.5109757
• Molar Refractivity: 59.2596 cm^3
• Polarizability: 22.33936 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 127 - 129°C
• Hydrophobicity(logP): 1.802

Product Information

• Purity: 95%