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

• ChemBase ID: 306973
• Molecular Formular: C8H18N2O
• Molecular Mass: 158.24132
• Monoisotopic Mass: 158.14191321
• SMILES: N1(CCCCO)CCNCC1
• Canonical SMILES: OCCCCN1CCNCC1
• InChI: InChI=1S/C8H18N2O/c11-8-2-1-5-10-6-3-9-4-7-10/h9,11H,1-8H2
• InChIKey: RTZVLCNTVAXFMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09055279

CALCULATED PROPERTIES

• H Donor: 2
• LogD (pH = 5.5): -3.8152623
• LogD (pH = 7.4): -2.459
• Log P: -0.4585385
• Molar Refractivity: 46.5458 cm^3
• Polarizability: 18.407972 Å^3
• Polar Surface Area: 35.5 Å^2
• H Acceptors: 3