(8aR)-octahydropyrrolo[1,2-a]piperazine

• ChemBase ID: 804986
• Molecular Formular: C7H14N2
• Molecular Mass: 126.19946
• Monoisotopic Mass: 126.11569846
• SMILES: N12CCNC[C@H]1CCC2
• Canonical SMILES: N1CCN2[C@@H](C1)CCC2
• InChI: InChI=1S/C7H14N2/c1-2-7-6-8-3-5-9(7)4-1/h7-8H,1-6H2/t7-/m1/s1
• InChIKey: FTTATHOUSOIFOQ-SSDOTTSWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (8aR)-octahydropyrrolo[1,2-a]piperazine
• IUPAC Traditional name: (8aR)-octahydropyrrolo[1,2-a]piperazine
• Synonyms: (R)-1,4-DIAZABICYCLO[4.3.0]NONANE

Database IDs

• CAS Number: 93643-24-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.3727372
• LogD (pH = 7.4): -2.934824
• Log P: 0.11980564
• Molar Refractivity: 37.9547 cm^3
• Polarizability: 15.227027 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%