4-[6-(pyrrolidin-2-yl)pyridine-3-carbonyl]morpholine hydrochloride

• ChemBase ID: 62389
• Molecular Formular: C14H20ClN3O2
• Molecular Mass: 297.7805
• Monoisotopic Mass: 297.12440458
• SMILES: C(=O)(c1cnc(C2NCCC2)cc1)N1CCOCC1.Cl
• Canonical SMILES: O=C(c1ccc(nc1)C1CCCN1)N1CCOCC1.Cl
• InChI: InChI=1S/C14H19N3O2.ClH/c18-14(17-6-8-19-9-7-17)11-3-4-13(16-10-11)12-2-1-5-15-12;/h3-4,10,12,15H,1-2,5-9H2;1H
• InChIKey: MMPLZBHDIFTHDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[6-(pyrrolidin-2-yl)pyridine-3-carbonyl]morpholine hydrochloride
• IUPAC Traditional name: 4-[6-(pyrrolidin-2-yl)pyridine-3-carbonyl]morpholine hydrochloride
• Synonyms: Morpholin-4-yl-(6-pyrrolidin-2-yl-pyridin-3-yl)-methanone hydrochloride

Database IDs

• MDL Number: MFCD21605959
• PubChem SID: 162028128
• PubChem CID: 71298707

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.0340302
• LogD (pH = 7.4): -1.7542372
• Log P: 0.09263983
• Molar Refractivity: 71.8595 cm^3
• Polarizability: 27.763168 Å^3
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false