ethyl 1,4-dimethylpiperazine-2-carboxylate

• ChemBase ID: 88043
• Molecular Formular: C9H18N2O2
• Molecular Mass: 186.25142
• Monoisotopic Mass: 186.13682783
• SMILES: N1(CC(C(=O)OCC)N(C)CC1)C
• Canonical SMILES: CCOC(=O)C1CN(C)CCN1C
• InChI: InChI=1S/C9H18N2O2/c1-4-13-9(12)8-7-10(2)5-6-11(8)3/h8H,4-7H2,1-3H3
• InChIKey: RRXUQLWWJFBPKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 1,4-dimethylpiperazine-2-carboxylate
• IUPAC Traditional name: ethyl 1,4-dimethylpiperazine-2-carboxylate
• Synonyms: Ethyl 1,4-dimethylpiperazine-2-carboxylate 97%; Ethyl 1,4-dimethylpiperazine-2-carboxylate

Database IDs

• CAS Number: 90729-01-4
• MDL Number: MFCD00173923
• PubChem SID: 162075083
• PubChem CID: 2736419

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.8830335
• LogD (pH = 7.4): -0.19948363
• Log P: 0.22993065
• Molar Refractivity: 51.3858 cm^3
• Polarizability: 20.40019 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 95+%