4-ethyl-2-(piperazin-1-ylmethyl)morpholine

• ChemBase ID: 271339
• Molecular Formular: C11H23N3O
• Molecular Mass: 213.31982
• Monoisotopic Mass: 213.18411237
• SMILES: N1(CC(OCC1)CN1CCNCC1)CC
• Canonical SMILES: CCN1CCOC(C1)CN1CCNCC1
• InChI: InChI=1S/C11H23N3O/c1-2-13-7-8-15-11(9-13)10-14-5-3-12-4-6-14/h11-12H,2-10H2,1H3
• InChIKey: FPZMFITYJHVWSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethyl-2-(piperazin-1-ylmethyl)morpholine
• IUPAC Traditional name: 4-ethyl-2-(piperazin-1-ylmethyl)morpholine
• Synonyms: 4-ethyl-2-(piperazin-1-ylmethyl)morpholine

Database IDs

• MDL Number: MFCD20731092
• PubChem SID: 164327249
• PubChem CID: 23079696

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -5.2381387
• LogD (pH = 7.4): -2.3058307
• Log P: -0.1290398
• Molar Refractivity: 62.2559 cm^3
• Polarizability: 24.80531 Å^3
• Polar Surface Area: 27.74 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.346

Product Information

• Purity: 95%