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

• ChemBase ID: 306802
• Molecular Formular: C12H25N3
• Molecular Mass: 211.347
• Monoisotopic Mass: 211.20484782
• SMILES: N1(C(C2CCNCC2)C)CCN(CC1)C
• Canonical SMILES: CN1CCN(CC1)C(C1CCNCC1)C
• InChI: InChI=1S/C12H25N3/c1-11(12-3-5-13-6-4-12)15-9-7-14(2)8-10-15/h11-13H,3-10H2,1-2H3
• InChIKey: DXKLBRRTHOEFKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD08059764

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -6.095638
• LogD (pH = 7.4): -4.484433
• Log P: 0.558223
• Molar Refractivity: 65.4314 cm^3
• Polarizability: 25.977915 Å^3
• Polar Surface Area: 18.51 Å^2