1-methyl-4-[2-(piperidin-4-yl)ethyl]piperazine

• ChemBase ID: 34318
• Molecular Formular: C12H25N3
• Molecular Mass: 211.347
• Monoisotopic Mass: 211.20484782
• SMILES: N1(CCN(CC1)CCC1CCNCC1)C
• Canonical SMILES: CN1CCN(CC1)CCC1CCNCC1
• InChI: InChI=1S/C12H25N3/c1-14-8-10-15(11-9-14)7-4-12-2-5-13-6-3-12/h12-13H,2-11H2,1H3
• InChIKey: BREHWAOTQHCZJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-4-[2-(piperidin-4-yl)ethyl]piperazine
• IUPAC Traditional name: 1-methyl-4-[2-(piperidin-4-yl)ethyl]piperazine
• Synonyms: 1-Methyl-4-(2-piperidin-4-ylethyl)piperazine; 1-methyl-4-[2-(piperidin-4-yl)ethyl]piperazine

Database IDs

• MDL Number: MFCD06740643
• PubChem SID: 160997625
• PubChem CID: 4778264

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.959627
• LogD (pH = 7.4): -3.9414544
• Log P: 0.50826293
• Molar Refractivity: 65.6906 cm^3
• Polarizability: 25.977915 Å^3
• Polar Surface Area: 18.51 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.0020

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%