N,4-dimethylpiperidine-4-carboxamide hydrochloride

• ChemBase ID: 62421
• Molecular Formular: C8H17ClN2O
• Molecular Mass: 192.68638
• Monoisotopic Mass: 192.10294085
• SMILES: C(=O)(C1(CCNCC1)C)NC.Cl
• Canonical SMILES: CNC(=O)C1(C)CCNCC1.Cl
• InChI: InChI=1S/C8H16N2O.ClH/c1-8(7(11)9-2)3-5-10-6-4-8;/h10H,3-6H2,1-2H3,(H,9,11);1H
• InChIKey: OWCMSMCNAMXXNK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,4-dimethylpiperidine-4-carboxamide hydrochloride
• IUPAC Traditional name: N,4-dimethylpiperidine-4-carboxamide hydrochloride
• Synonyms: 4-Methyl-piperidine-4-carboxylic acid methylamide hydrochloride

Database IDs

• MDL Number: MFCD21605977
• PubChem SID: 162028160
• PubChem CID: 71298722

CALCULATED PROPERTIES

• Acid pKa: 16.293964
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.3719382
• LogD (pH = 7.4): -2.7673461
• Log P: -0.14702007
• Molar Refractivity: 44.2952 cm^3
• Polarizability: 17.470844 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false