N,N,4-trimethylpiperidine-4-carboxamide hydrochloride

• ChemBase ID: 62370
• Molecular Formular: C9H19ClN2O
• Molecular Mass: 206.71296
• Monoisotopic Mass: 206.11859092
• SMILES: C(=O)(C1(CCNCC1)C)N(C)C.Cl
• Canonical SMILES: CN(C(=O)C1(C)CCNCC1)C.Cl
• InChI: InChI=1S/C9H18N2O.ClH/c1-9(8(12)11(2)3)4-6-10-7-5-9;/h10H,4-7H2,1-3H3;1H
• InChIKey: FPRXZIMGPOORTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD21605943
• PubChem SID: 162028109
• PubChem CID: 71298690

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.1482623
• LogD (pH = 7.4): -2.5436614
• Log P: 0.07665599
• Molar Refractivity: 49.1919 cm^3
• Polarizability: 19.311396 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false