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

• ChemBase ID: 264227
• Molecular Formular: C13H27N3
• Molecular Mass: 225.37358
• Monoisotopic Mass: 225.22049788
• SMILES: N1(CCC2CCN(CC2)C)CCN(CC1)C
• Canonical SMILES: CN1CCC(CC1)CCN1CCN(CC1)C
• InChI: InChI=1S/C13H27N3/c1-14-6-3-13(4-7-14)5-8-16-11-9-15(2)10-12-16/h13H,3-12H2,1-2H3
• InChIKey: HDSNCQNEOQFXRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-4-[2-(1-methylpiperidin-4-yl)ethyl]piperazine
• IUPAC Traditional name: 1-methyl-4-[2-(1-methylpiperidin-4-yl)ethyl]piperazine
• Synonyms: 1-methyl-4-[2-(1-methylpiperidin-4-yl)ethyl]piperazine

Database IDs

• MDL Number: MFCD13196286
• PubChem SID: 164320137
• PubChem CID: 21129707

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -5.50527
• LogD (pH = 7.4): -2.4850888
• Log P: 0.8913109
• Molar Refractivity: 70.9853 cm^3
• Polarizability: 27.824001 Å^3
• Polar Surface Area: 9.72 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.444

Product Information

• Purity: 95%