N-methyl-2-(piperazin-1-yl)propanamide dihydrochloride

• ChemBase ID: 272227
• Molecular Formular: C8H19Cl2N3O
• Molecular Mass: 244.16196
• Monoisotopic Mass: 243.0905176
• SMILES: N1(C(C(=O)NC)C)CCNCC1.Cl.Cl
• Canonical SMILES: CNC(=O)C(N1CCNCC1)C.Cl.Cl
• InChI: InChI=1S/C8H17N3O.2ClH/c1-7(8(12)9-2)11-5-3-10-4-6-11;;/h7,10H,3-6H2,1-2H3,(H,9,12);2*1H
• InChIKey: JEBYTERECIYTEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18089532
• PubChem SID: 164328137
• PubChem CID: 50988371

CALCULATED PROPERTIES

• Acid pKa: 16.05605
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.9276094
• LogD (pH = 7.4): -2.422601
• Log P: -0.8822779
• Molar Refractivity: 48.0409 cm^3
• Polarizability: 18.999018 Å^3
• Polar Surface Area: 44.37 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 236 - 238°C
• Hydrophobicity(logP): -0.659

Product Information

• Purity: 95%