4-(piperazine-1-carbonyl)morpholine hydrochloride

• ChemBase ID: 252862
• Molecular Formular: C9H18ClN3O2
• Molecular Mass: 235.71112
• Monoisotopic Mass: 235.10875451
• SMILES: C(=O)(N1CCNCC1)N1CCOCC1.Cl
• Canonical SMILES: O=C(N1CCOCC1)N1CCNCC1.Cl
• InChI: InChI=1S/C9H17N3O2.ClH/c13-9(11-3-1-10-2-4-11)12-5-7-14-8-6-12;/h10H,1-8H2;1H
• InChIKey: BKXMOLFRUBWSKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(piperazine-1-carbonyl)morpholine hydrochloride
• IUPAC Traditional name: 4-(piperazine-1-carbonyl)morpholine hydrochloride
• Synonyms: 4-(piperazin-1-ylcarbonyl)morpholine hydrochloride

Database IDs

• CAS Number: 98834-08-3
• MDL Number: MFCD08461834
• PubChem SID: 164308772
• PubChem CID: 16382667

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

• Melting Point: 216 - 218°C
• Hydrophobicity(logP): 0.444

Product Information

• Purity: 95%
• Salt Data: HCl