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

• ChemBase ID: 116961
• Molecular Formular: C9H20N2
• Molecular Mass: 156.2685
• Monoisotopic Mass: 156.16264865
• SMILES: N1(CC(NCC1)C(C)C)CC
• Canonical SMILES: CCN1CCNC(C1)C(C)C
• InChI: InChI=1S/C9H20N2/c1-4-11-6-5-10-9(7-11)8(2)3/h8-10H,4-7H2,1-3H3
• InChIKey: LHSKFSDJLXTYLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD20117017
• PubChem SID: 162101838
• PubChem CID: 64832805

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.3896356
• LogD (pH = 7.4): -1.159181
• Log P: 1.3151193
• Molar Refractivity: 48.9065 cm^3
• Polarizability: 19.657892 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.199

Product Information

• Purity: 95+%