1-(2-methoxyethyl)piperazin-2-one hydrochloride

• ChemBase ID: 245894
• Molecular Formular: C7H15ClN2O2
• Molecular Mass: 194.6592
• Monoisotopic Mass: 194.08220541
• SMILES: N1(C(=O)CNCC1)CCOC.Cl
• Canonical SMILES: COCCN1CCNCC1=O.Cl
• InChI: InChI=1S/C7H14N2O2.ClH/c1-11-5-4-9-3-2-8-6-7(9)10;/h8H,2-6H2,1H3;1H
• InChIKey: DWGMJNTVEJKQDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methoxyethyl)piperazin-2-one hydrochloride
• IUPAC Traditional name: 1-(2-methoxyethyl)piperazin-2-one hydrochloride
• Synonyms: 1-(2-methoxyethyl)piperazin-2-one hydrochloride

Database IDs

• MDL Number: MFCD23144172
• PubChem SID: 164301804
• PubChem CID: 71301915

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.848556
• LogD (pH = 7.4): -1.4539741
• Log P: -1.2929862
• Molar Refractivity: 41.4681 cm^3
• Polarizability: 16.35 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.253

Product Information

• Purity: 95%