4-[4-(piperazin-2-yl)phenyl]morpholine

• ChemBase ID: 66293
• Molecular Formular: C14H21N3O
• Molecular Mass: 247.33604
• Monoisotopic Mass: 247.16846231
• SMILES: N1(CCOCC1)c1ccc(cc1)C1NCCNC1
• Canonical SMILES: C1NCC(NC1)c1ccc(cc1)N1CCOCC1
• InChI: InChI=1S/C14H21N3O/c1-3-13(17-7-9-18-10-8-17)4-2-12(1)14-11-15-5-6-16-14/h1-4,14-16H,5-11H2
• InChIKey: RTAZSKWNEMNKGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[4-(piperazin-2-yl)phenyl]morpholine
• IUPAC Traditional name: 4-[4-(piperazin-2-yl)phenyl]morpholine
• Synonyms: 4-(4-Piperazin-2-yl-phenyl)morpholine

Database IDs

• CAS Number: 864685-27-8
• MDL Number: MFCD05864687
• PubChem SID: 162032031
• PubChem CID: 17749980

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.219502
• LogD (pH = 7.4): -0.7959684
• Log P: 0.94497675
• Molar Refractivity: 73.2347 cm^3
• Polarizability: 28.48753 Å^3
• Polar Surface Area: 36.53 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%