1-(morpholin-4-yl)-3-(piperazin-1-yl)propan-1-one

• ChemBase ID: 808989
• Molecular Formular: C11H21N3O2
• Molecular Mass: 227.30334
• Monoisotopic Mass: 227.16337693
• SMILES: C(=O)(CCN1CCNCC1)N1CCOCC1
• Canonical SMILES: O=C(N1CCOCC1)CCN1CCNCC1
• InChI: InChI=1S/C11H21N3O2/c15-11(14-7-9-16-10-8-14)1-4-13-5-2-12-3-6-13/h12H,1-10H2
• InChIKey: LDHALCOGQHPMNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(morpholin-4-yl)-3-(piperazin-1-yl)propan-1-one
• IUPAC Traditional name: 1-(morpholin-4-yl)-3-(piperazin-1-yl)propan-1-one
• Synonyms: 1-MORPHOLIN-4-YL-3-PIPERAZIN-1-YL-PROPAN-1-ONE

Database IDs

• CAS Number: 886363-67-3

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -4.461838
• LogD (pH = 7.4): -3.1123962
• Log P: -1.2088538
• Molar Refractivity: 62.2176 cm^3
• Polarizability: 24.498173 Å^3
• Polar Surface Area: 44.81 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%