4-(piperazin-1-yloxy)butan-2-ol

• ChemBase ID: 286704
• Molecular Formular: C8H18N2O2
• Molecular Mass: 174.24072
• Monoisotopic Mass: 174.13682783
• SMILES: CC(CCON1CCNCC1)O
• Canonical SMILES: CC(CCON1CCNCC1)O
• InChI: InChI=1S/C8H18N2O2/c1-8(11)2-7-12-10-5-3-9-4-6-10/h8-9,11H,2-7H2,1H3
• InChIKey: UEVYSDYPGREFGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(piperazin-1-yloxy)butan-2-ol
• IUPAC Traditional name: 4-(piperazin-1-yloxy)butan-2-ol
• Synonyms: 1-Hydroxyethylethoxypiperazine

Database IDs

• CAS Number: 13349-82-1
• MDL Number: MFCD00074931
• PubChem SID: 180672235
• PubChem CID: 54349703

CALCULATED PROPERTIES

• Acid pKa: 15.585513
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.9480238
• LogD (pH = 7.4): -2.4263434
• Log P: -0.9462611
• Molar Refractivity: 47.2722 cm^3
• Polarizability: 19.106642 Å^3
• Polar Surface Area: 44.73 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%