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

• ChemBase ID: 55252
• Molecular Formular: C11H23Cl2N3O2
• Molecular Mass: 300.22522
• Monoisotopic Mass: 299.11673235
• SMILES: C(=O)(N1CCOCC1)CN1CCC(CC1)N.Cl.Cl
• Canonical SMILES: NC1CCN(CC1)CC(=O)N1CCOCC1.Cl.Cl
• InChI: InChI=1S/C11H21N3O2.2ClH/c12-10-1-3-13(4-2-10)9-11(15)14-5-7-16-8-6-14;;/h10H,1-9,12H2;2*1H
• InChIKey: UGIBZZWTQFWHMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13461786
• PubChem SID: 162060015
• PubChem CID: 56773516

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -5.7890115
• LogD (pH = 7.4): -4.4588714
• Log P: -1.6987604
• Molar Refractivity: 62.1446 cm^3
• Polarizability: 24.498173 Å^3
• Polar Surface Area: 58.8 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false