1-(morpholin-4-yl)-2-(piperazin-1-yl)propan-1-one dihydrochloride

• ChemBase ID: 270454
• Molecular Formular: C11H23Cl2N3O2
• Molecular Mass: 300.22522
• Monoisotopic Mass: 299.11673235
• SMILES: C(=O)(N1CCOCC1)C(N1CCNCC1)C.Cl.Cl
• Canonical SMILES: CC(C(=O)N1CCOCC1)N1CCNCC1.Cl.Cl
• InChI: InChI=1S/C11H21N3O2.2ClH/c1-10(13-4-2-12-3-5-13)11(15)14-6-8-16-9-7-14;;/h10,12H,2-9H2,1H3;2*1H
• InChIKey: RSINAHBERGLYPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(morpholin-4-yl)-2-(piperazin-1-yl)propan-1-one dihydrochloride
• IUPAC Traditional name: 1-(morpholin-4-yl)-2-(piperazin-1-yl)propan-1-one dihydrochloride
• Synonyms: 1-(morpholin-4-yl)-2-(piperazin-1-yl)propan-1-one dihydrochloride

Database IDs

• MDL Number: MFCD17480393
• PubChem SID: 164326364
• PubChem CID: 50988307

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.9100568
• LogD (pH = 7.4): -2.4067147
• Log P: -0.87710226
• Molar Refractivity: 62.0121 cm^3
• Polarizability: 24.498173 Å^3
• Polar Surface Area: 44.81 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.911

Product Information

• Purity: 95%