4-(4-ethylpiperazin-1-yl)butan-1-ol

• ChemBase ID: 269827
• Molecular Formular: C10H22N2O
• Molecular Mass: 186.29448
• Monoisotopic Mass: 186.17321333
• SMILES: N1(CCN(CC1)CCCCO)CC
• Canonical SMILES: OCCCCN1CCN(CC1)CC
• InChI: InChI=1S/C10H22N2O/c1-2-11-6-8-12(9-7-11)5-3-4-10-13/h13H,2-10H2,1H3
• InChIKey: QNINQNAGDRKECY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-ethylpiperazin-1-yl)butan-1-ol
• IUPAC Traditional name: 4-(4-ethylpiperazin-1-yl)butan-1-ol
• Synonyms: 4-(4-ethylpiperazin-1-yl)butan-1-ol

Database IDs

• MDL Number: MFCD12186622
• PubChem SID: 164325737
• PubChem CID: 22218523

CALCULATED PROPERTIES

• Acid pKa: 15.972566
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.8232284
• LogD (pH = 7.4): -1.1542412
• Log P: 0.28131738
• Molar Refractivity: 56.5891 cm^3
• Polarizability: 22.094809 Å^3
• Polar Surface Area: 26.71 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.633

Product Information

• Purity: 95%