4-(piperazine-1-carbonyl)morpholine

• ChemBase ID: 73904
• Molecular Formular: C9H17N3O2
• Molecular Mass: 199.25018
• Monoisotopic Mass: 199.1320768
• SMILES: O1CCN(C(=O)N2CCNCC2)CC1
• Canonical SMILES: O=C(N1CCOCC1)N1CCNCC1
• InChI: InChI=1S/C9H17N3O2/c13-9(11-3-1-10-2-4-11)12-5-7-14-8-6-12/h10H,1-8H2
• InChIKey: QRFWUPFGDJAVNO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(piperazine-1-carbonyl)morpholine
• IUPAC Traditional name: 4-(piperazine-1-carbonyl)morpholine
• Synonyms: Morpholinepiperazinemethanone 97%; Morpholin-4-yl-piperazin-1-yl-methanone

Database IDs

• CAS Number: 98834-08-3
• MDL Number: MFCD03844725
• PubChem SID: 162038823
• PubChem CID: 700139

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.4948235
• LogD (pH = 7.4): -1.781445
• Log P: -1.2235584
• Molar Refractivity: 52.5593 cm^3
• Polarizability: 20.451963 Å^3
• Polar Surface Area: 44.81 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: -1.596

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95+%