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

• ChemBase ID: 265740
• Molecular Formular: C11H21ClN2O2
• Molecular Mass: 248.74964
• Monoisotopic Mass: 248.1291556
• SMILES: C(=O)(N1CCOCC1)CC1CCNCC1.Cl
• Canonical SMILES: O=C(N1CCOCC1)CC1CCNCC1.Cl
• InChI: InChI=1S/C11H20N2O2.ClH/c14-11(13-5-7-15-8-6-13)9-10-1-3-12-4-2-10;/h10,12H,1-9H2;1H
• InChIKey: GCFVTLABPIRYIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD14705839
• PubChem SID: 164321650
• PubChem CID: 15565774

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

Physical Property

• Melting Point: 189 - 191°C
• Hydrophobicity(logP): -0.582

Product Information

• Purity: 95%