N,N-diethyl-2-(piperazin-1-yl)acetamide

• ChemBase ID: 250897
• Molecular Formular: C10H21N3O
• Molecular Mass: 199.29324
• Monoisotopic Mass: 199.16846231
• SMILES: C(=O)(CN1CCNCC1)N(CC)CC
• Canonical SMILES: CCN(C(=O)CN1CCNCC1)CC
• InChI: InChI=1S/C10H21N3O/c1-3-13(4-2)10(14)9-12-7-5-11-6-8-12/h11H,3-9H2,1-2H3
• InChIKey: FNQIGZCNEFCPID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-diethyl-2-(piperazin-1-yl)acetamide
• IUPAC Traditional name: N,N-diethyl-2-(piperazin-1-yl)acetamide
• Synonyms: N,N-diethyl-2-piperazin-1-ylacetamide

Database IDs

• CAS Number: 40004-14-6
• MDL Number: MFCD07691359
• PubChem SID: 164306807
• PubChem CID: 7131630

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.5459824
• LogD (pH = 7.4): -2.0432215
• Log P: -0.51375014
• Molar Refractivity: 57.9409 cm^3
• Polarizability: 22.680025 Å^3
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.52

Product Information

• Purity: 95%