2-tert-butyl-1-(2-phenoxyethyl)piperazine dihydrochloride

• ChemBase ID: 243386
• Molecular Formular: C16H28Cl2N2O
• Molecular Mass: 335.31232
• Monoisotopic Mass: 334.15786889
• SMILES: N1(C(C(C)(C)C)CNCC1)CCOc1ccccc1.Cl.Cl
• Canonical SMILES: CC(C1CNCCN1CCOc1ccccc1)(C)C.Cl.Cl
• InChI: InChI=1S/C16H26N2O.2ClH/c1-16(2,3)15-13-17-9-10-18(15)11-12-19-14-7-5-4-6-8-14;;/h4-8,15,17H,9-13H2,1-3H3;2*1H
• InChIKey: ZTXNPOLPAHZILZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-tert-butyl-1-(2-phenoxyethyl)piperazine dihydrochloride
• IUPAC Traditional name: 2-tert-butyl-1-(2-phenoxyethyl)piperazine dihydrochloride
• Synonyms: 2-tert-butyl-1-(2-phenoxyethyl)piperazine dihydrochloride

Database IDs

• MDL Number: MFCD22578663
• PubChem SID: 164299296
• PubChem CID: 71757243

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.40598163
• LogD (pH = 7.4): 0.88779825
• Log P: 2.9803617
• Molar Refractivity: 79.1082 cm^3
• Polarizability: 31.776712 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.205

Product Information

• Purity: 95%