1-[2-(piperidin-1-yl)ethyl]piperazine

• ChemBase ID: 30517
• Molecular Formular: C11H23N3
• Molecular Mass: 197.32042
• Monoisotopic Mass: 197.18919775
• SMILES: N1(CCN2CCNCC2)CCCCC1
• Canonical SMILES: C1CCN(CC1)CCN1CCNCC1
• InChI: InChI=1S/C11H23N3/c1-2-6-13(7-3-1)10-11-14-8-4-12-5-9-14/h12H,1-11H2
• InChIKey: NWWINQCALMSSFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(piperidin-1-yl)ethyl]piperazine
• IUPAC Traditional name: 1-[2-(piperidin-1-yl)ethyl]piperazine
• Synonyms: 1-(2-[1-Piperidino]ethyl)piperazine 97%; 1-(2-Piperidin-1-yl-ethyl)-piperazine

Database IDs

• CAS Number: 22763-65-1
• MDL Number: MFCD01075189
• PubChem SID: 160993824
• PubChem CID: 2737212

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.7615886
• LogD (pH = 7.4): -2.992297
• Log P: 0.5232518
• Molar Refractivity: 60.9046 cm^3
• Polarizability: 24.131968 Å^3
• Polar Surface Area: 18.51 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 60-62°C
• Boiling Point: 119-120°C/3mm
• Refractive Index: 1.505
• Partition Coefficient: 0.275

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95+%