1-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazine

• ChemBase ID: 265584
• Molecular Formular: C12H25N3
• Molecular Mass: 211.347
• Monoisotopic Mass: 211.20484782
• SMILES: N1(CCN2CCNCC2)C(CCC1C)C
• Canonical SMILES: CC1CCC(N1CCN1CCNCC1)C
• InChI: InChI=1S/C12H25N3/c1-11-3-4-12(2)15(11)10-9-14-7-5-13-6-8-14/h11-13H,3-10H2,1-2H3
• InChIKey: YYSWLIJSBRAXMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazine
• IUPAC Traditional name: 1-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazine
• Synonyms: 1-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazine

Database IDs

• MDL Number: MFCD16040000
• PubChem SID: 164321494
• PubChem CID: 47002459

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.540093
• LogD (pH = 7.4): -3.2203205
• Log P: 0.91183317
• Molar Refractivity: 65.1412 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): 0.758

Product Information

• Purity: 95%