1-(morpholin-4-yl)-2-(piperidin-4-yl)ethan-1-one dihydrochloride

• ChemBase ID: 38217
• Molecular Formular: C11H22Cl2N2O2
• Molecular Mass: 285.21058
• Monoisotopic Mass: 284.10583331
• SMILES: C(=O)(N1CCOCC1)CC1CCNCC1.Cl.Cl
• Canonical SMILES: O=C(N1CCOCC1)CC1CCNCC1.Cl.Cl
• InChI: InChI=1S/C11H20N2O2.2ClH/c14-11(13-5-7-15-8-6-13)9-10-1-3-12-4-2-10;;/h10,12H,1-9H2;2*1H
• InChIKey: ZEBZDPPIGQYWEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(morpholin-4-yl)-2-(piperidin-4-yl)ethan-1-one dihydrochloride
• IUPAC Traditional name: 1-(morpholin-4-yl)-2-(piperidin-4-yl)ethanone dihydrochloride
• Synonyms: 1-Morpholin-4-yl-2-piperidin-4-yl-ethanone dihydrochloride

Database IDs

• MDL Number: MFCD12028491
• PubChem SID: 161001524
• PubChem CID: 46737093

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.7306557
• LogD (pH = 7.4): -3.0650713
• Log P: -0.50925726
• Molar Refractivity: 58.3405 cm^3
• Polarizability: 22.96912 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false