N,N-dimethylpiperazine-1-carboxamide hydrochloride

• ChemBase ID: 17322
• Molecular Formular: C7H16ClN3O
• Molecular Mass: 193.67444
• Monoisotopic Mass: 193.09818983
• SMILES: N1(C(=O)N(C)C)CCNCC1.Cl
• Canonical SMILES: CN(C(=O)N1CCNCC1)C.Cl
• InChI: InChI=1S/C7H15N3O.ClH/c1-9(2)7(11)10-5-3-8-4-6-10;/h8H,3-6H2,1-2H3;1H
• InChIKey: WOAWLWDCEUALHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethylpiperazine-1-carboxamide hydrochloride
• IUPAC Traditional name: N,N-dimethylpiperazine-1-carboxamide hydrochloride
• Synonyms: Piperazine-1-carboxylic acid dimethylamide hydrochloride

Database IDs

• MDL Number: MFCD07654774
• PubChem SID: 160980629
• PubChem CID: 16192652

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.276323
• LogD (pH = 7.4): -1.5629448
• Log P: -1.0050579
• Molar Refractivity: 43.4848 cm^3
• Polarizability: 16.778328 Å^3
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false