1-cyclopropyl-3-(2-methylpropyl)piperazine

• ChemBase ID: 116968
• Molecular Formular: C11H22N2
• Molecular Mass: 182.30578
• Monoisotopic Mass: 182.17829871
• SMILES: N1(C2CC2)CC(NCC1)CC(C)C
• Canonical SMILES: CC(CC1NCCN(C1)C1CC1)C
• InChI: InChI=1S/C11H22N2/c1-9(2)7-10-8-13(6-5-12-10)11-3-4-11/h9-12H,3-8H2,1-2H3
• InChIKey: COLJZVRCVKMJCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropyl-3-(2-methylpropyl)piperazine
• IUPAC Traditional name: 1-cyclopropyl-3-(2-methylpropyl)piperazine
• Synonyms: 1-cyclopropyl-3-isobutylpiperazine

Database IDs

• MDL Number: MFCD21091958
• PubChem SID: 162101768
• PubChem CID: 64924019

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6874553
• LogD (pH = 7.4): -0.4123102
• Log P: 1.7904909
• Molar Refractivity: 56.0471 cm^3
• Polarizability: 22.610828 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.953

Product Information

• Purity: 95+%