8-methyl-3-(piperazin-1-yl)-8-azabicyclo[3.2.1]octane

• ChemBase ID: 243615
• Molecular Formular: C12H23N3
• Molecular Mass: 209.33112
• Monoisotopic Mass: 209.18919775
• SMILES: N1(C2CC(CC1CC2)N1CCNCC1)C
• Canonical SMILES: CN1C2CCC1CC(C2)N1CCNCC1
• InChI: InChI=1S/C12H23N3/c1-14-10-2-3-11(14)9-12(8-10)15-6-4-13-5-7-15/h10-13H,2-9H2,1H3
• InChIKey: YLFHQBMNICBNMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methyl-3-(piperazin-1-yl)-8-azabicyclo[3.2.1]octane
• IUPAC Traditional name: 8-methyl-3-(piperazin-1-yl)-8-azabicyclo[3.2.1]octane
• Synonyms: 8-methyl-3-(piperazin-1-yl)-8-azabicyclo[3.2.1]octane

Database IDs

• MDL Number: MFCD12780506
• PubChem SID: 164299525
• PubChem CID: 15479763

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -6.2879047
• LogD (pH = 7.4): -3.9087942
• Log P: 0.20637885
• Molar Refractivity: 63.076 cm^3
• Polarizability: 25.24045 Å^3
• Polar Surface Area: 18.51 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.044

Product Information

• Purity: 95%