1-(morpholine-4-carbonyl)piperidine-4-carboxylic acid

• ChemBase ID: 263119
• Molecular Formular: C11H18N2O4
• Molecular Mass: 242.27162
• Monoisotopic Mass: 242.12665707
• SMILES: C(=O)(N1CCC(C(=O)O)CC1)N1CCOCC1
• Canonical SMILES: O=C(N1CCOCC1)N1CCC(CC1)C(=O)O
• InChI: InChI=1S/C11H18N2O4/c14-10(15)9-1-3-12(4-2-9)11(16)13-5-7-17-8-6-13/h9H,1-8H2,(H,14,15)
• InChIKey: QNKWXBMICUVJEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(morpholine-4-carbonyl)piperidine-4-carboxylic acid
• IUPAC Traditional name: 1-(morpholine-4-carbonyl)piperidine-4-carboxylic acid
• Synonyms: 1-(morpholin-4-ylcarbonyl)piperidine-4-carboxylic acid

Database IDs

• MDL Number: MFCD10012232
• PubChem SID: 164319029
• PubChem CID: 22322656

CALCULATED PROPERTIES

• Acid pKa: 4.344346
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.7976776
• LogD (pH = 7.4): -3.5447888
• Log P: -0.6145194
• Molar Refractivity: 60.1858 cm^3
• Polarizability: 23.211727 Å^3
• Polar Surface Area: 70.08 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 131 - 133°C
• Hydrophobicity(logP): -0.088

Product Information

• Purity: 95%