N,N-bis(propan-2-yl)piperidine-4-carboxamide hydrochloride

• ChemBase ID: 266849
• Molecular Formular: C12H25ClN2O
• Molecular Mass: 248.7927
• Monoisotopic Mass: 248.16554111
• SMILES: C(=O)(N(C(C)C)C(C)C)C1CCNCC1.Cl
• Canonical SMILES: CC(N(C(=O)C1CCNCC1)C(C)C)C.Cl
• InChI: InChI=1S/C12H24N2O.ClH/c1-9(2)14(10(3)4)12(15)11-5-7-13-8-6-11;/h9-11,13H,5-8H2,1-4H3;1H
• InChIKey: BIOZBHCUXCEBCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-bis(propan-2-yl)piperidine-4-carboxamide hydrochloride
• IUPAC Traditional name: N,N-diisopropylpiperidine-4-carboxamide hydrochloride
• Synonyms: N,N-bis(propan-2-yl)piperidine-4-carboxamide hydrochloride

Database IDs

• MDL Number: MFCD16040073
• PubChem SID: 164322759
• PubChem CID: 47002845

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1585667
• LogD (pH = 7.4): -1.5741277
• Log P: 1.0674076
• Molar Refractivity: 63.0257 cm^3
• Polarizability: 24.838331 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 312 - 314°C
• Hydrophobicity(logP): 0.486

Product Information

• Purity: 95%