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

• ChemBase ID: 804965
• Molecular Formular: C11H23Cl2N3O2
• Molecular Mass: 300.22522
• Monoisotopic Mass: 299.11673235
• SMILES: Cl.Cl.C(=O)(CCN1CCNCC1)N1CCOCC1
• Canonical SMILES: O=C(N1CCOCC1)CCN1CCNCC1.Cl.Cl
• InChI: InChI=1S/C11H21N3O2.2ClH/c15-11(14-7-9-16-10-8-14)1-4-13-5-2-12-3-6-13;;/h12H,1-10H2;2*1H
• InChIKey: XIPVYYICDZJHGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1159822-74-8

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%