1-cyclopropyl-3-(propan-2-yl)piperazine

• ChemBase ID: 116962
• Molecular Formular: C10H20N2
• Molecular Mass: 168.2792
• Monoisotopic Mass: 168.16264865
• SMILES: N1(C2CC2)CC(NCC1)C(C)C
• Canonical SMILES: CC(C1NCCN(C1)C1CC1)C
• InChI: InChI=1S/C10H20N2/c1-8(2)10-7-12(6-5-11-10)9-3-4-9/h8-11H,3-7H2,1-2H3
• InChIKey: OWORJJFCUQMXFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropyl-3-(propan-2-yl)piperazine
• IUPAC Traditional name: 1-cyclopropyl-3-isopropylpiperazine
• Synonyms: 1-cyclopropyl-3-isopropylpiperazine

Database IDs

• MDL Number: MFCD21091956
• PubChem SID: 162102062
• PubChem CID: 64926591

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1866128
• LogD (pH = 7.4): -0.9540728
• Log P: 1.4238759
• Molar Refractivity: 51.3691 cm^3
• Polarizability: 20.7646 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.511

Product Information

• Purity: 95+%