1-(4-methoxybutyl)piperazine

• ChemBase ID: 88684
• Molecular Formular: C9H20N2O
• Molecular Mass: 172.2679
• Monoisotopic Mass: 172.15756327
• SMILES: N1(CCCCOC)CCNCC1
• Canonical SMILES: COCCCCN1CCNCC1
• InChI: InChI=1S/C9H20N2O/c1-12-9-3-2-6-11-7-4-10-5-8-11/h10H,2-9H2,1H3
• InChIKey: RCUHJBWDIITPIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-methoxybutyl)piperazine
• IUPAC Traditional name: 1-(4-methoxybutyl)piperazine
• Synonyms: 1-(4-Methoxybutyl)piperazine

Database IDs

• MDL Number: MFCD02093551
• PubChem SID: 162075605
• PubChem CID: 2736727

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.219975
• LogD (pH = 7.4): -1.86906
• Log P: 0.18458802
• Molar Refractivity: 51.297 cm^3
• Polarizability: 20.324642 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant