1-(2-methoxyethyl)-2-propylpiperazine

• ChemBase ID: 245402
• Molecular Formular: C10H22N2O
• Molecular Mass: 186.29448
• Monoisotopic Mass: 186.17321333
• SMILES: N1(C(CNCC1)CCC)CCOC
• Canonical SMILES: CCCC1CNCCN1CCOC
• InChI: InChI=1S/C10H22N2O/c1-3-4-10-9-11-5-6-12(10)7-8-13-2/h10-11H,3-9H2,1-2H3
• InChIKey: HCXZOCPNDAEQDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methoxyethyl)-2-propylpiperazine
• IUPAC Traditional name: 1-(2-methoxyethyl)-2-propylpiperazine
• Synonyms: 1-(2-methoxyethyl)-2-propylpiperazine

Database IDs

• MDL Number: MFCD20427454
• PubChem SID: 164301312
• PubChem CID: 64832331

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.5408216
• LogD (pH = 7.4): -1.2352176
• Log P: 0.9909317
• Molar Refractivity: 55.3308 cm^3
• Polarizability: 22.168617 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.909

Product Information

• Purity: 95%