1-ethyl-4-(piperidin-4-yl)piperazine

• ChemBase ID: 310346
• Molecular Formular: C11H23N3
• Molecular Mass: 197.32042
• Monoisotopic Mass: 197.18919775
• SMILES: N1(C2CCNCC2)CCN(CC1)CC
• Canonical SMILES: CCN1CCN(CC1)C1CCNCC1
• InChI: InChI=1S/C11H23N3/c1-2-13-7-9-14(10-8-13)11-3-5-12-6-4-11/h11-12H,2-10H2,1H3
• InChIKey: JOXMSOKQNJLNEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-4-(piperidin-4-yl)piperazine
• IUPAC Traditional name: 1-ethyl-4-(piperidin-4-yl)piperazine
• Synonyms: 1-ethyl-4-piperidin-4-ylpiperazine

Database IDs

• CAS Number: 202991-77-3
• MDL Number: MFCD03446414

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.926653
• LogD (pH = 7.4): -3.626792
• Log P: 0.03785519
• Molar Refractivity: 60.9432 cm^3
• Polarizability: 24.131968 Å^3
• Polar Surface Area: 18.51 Å^2