2-(morpholin-4-yl)-1-(piperazin-1-yl)ethan-1-one

• ChemBase ID: 253123
• Molecular Formular: C10H19N3O2
• Molecular Mass: 213.27676
• Monoisotopic Mass: 213.14772686
• SMILES: C(=O)(N1CCNCC1)CN1CCOCC1
• Canonical SMILES: O=C(N1CCNCC1)CN1CCOCC1
• InChI: InChI=1S/C10H19N3O2/c14-10(13-3-1-11-2-4-13)9-12-5-7-15-8-6-12/h11H,1-9H2
• InChIKey: XIUNZPPHCCROJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-4-yl)-1-(piperazin-1-yl)ethan-1-one
• IUPAC Traditional name: 2-(morpholin-4-yl)-1-(piperazin-1-yl)ethanone
• Synonyms: 4-(2-oxo-2-piperazin-1-ylethyl)morpholine

Database IDs

• MDL Number: MFCD08691366
• PubChem SID: 164309033
• PubChem CID: 16227632

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -4.145093
• LogD (pH = 7.4): -2.015631
• Log P: -1.4458665
• Molar Refractivity: 57.5182 cm^3
• Polarizability: 22.662224 Å^3
• Polar Surface Area: 44.81 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.027

Product Information

• Purity: 95%