N,N,4-trimethylpiperazine-2-carboxamide dihydrochloride

• ChemBase ID: 62722
• Molecular Formular: C8H19Cl2N3O
• Molecular Mass: 244.16196
• Monoisotopic Mass: 243.0905176
• SMILES: C1(C(=O)N(C)C)NCCN(C1)C.Cl.Cl
• Canonical SMILES: CN1CCNC(C1)C(=O)N(C)C.Cl.Cl
• InChI: InChI=1S/C8H17N3O.2ClH/c1-10(2)8(12)7-6-11(3)5-4-9-7;;/h7,9H,4-6H2,1-3H3;2*1H
• InChIKey: RPSXPFXZNGKDBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N,4-trimethylpiperazine-2-carboxamide dihydrochloride
• IUPAC Traditional name: N,N,4-trimethylpiperazine-2-carboxamide dihydrochloride
• Synonyms: 4-Methyl-piperazine-2-carboxylic acid dimethylamide dihydrochloride

Database IDs

• MDL Number: MFCD21606055
• PubChem SID: 162028461
• PubChem CID: 71298794

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.9866037
• LogD (pH = 7.4): -2.2790976
• Log P: -1.0154098
• Molar Refractivity: 48.189 cm^3
• Polarizability: 18.999018 Å^3
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false