2-methyl-2-(piperazin-1-yl)propanamide hydrochloride

• ChemBase ID: 284941
• Molecular Formular: C8H18ClN3O
• Molecular Mass: 207.70102
• Monoisotopic Mass: 207.11383989
• SMILES: C(N1CCNCC1)(C(=O)N)(C)C.Cl
• Canonical SMILES: NC(=O)C(N1CCNCC1)(C)C.Cl
• InChI: InChI=1S/C8H17N3O.ClH/c1-8(2,7(9)12)11-5-3-10-4-6-11;/h10H,3-6H2,1-2H3,(H2,9,12);1H
• InChIKey: GRKXNARTRXFMQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-2-(piperazin-1-yl)propanamide hydrochloride
• IUPAC Traditional name: 2-methyl-2-(piperazin-1-yl)propanamide hydrochloride
• Synonyms: 2-methyl-2-(piperazin-1-yl)propanamide hydrochloride

Database IDs

• MDL Number: MFCD20731176
• PubChem SID: 180670472
• PubChem CID: 56828061

CALCULATED PROPERTIES

• Acid pKa: 16.44985
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.7366679
• LogD (pH = 7.4): -2.229166
• Log P: -0.6731881
• Molar Refractivity: 47.8575 cm^3
• Polarizability: 18.999018 Å^3
• Polar Surface Area: 58.36 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.616

Product Information

• Purity: 95%