2-[2-(1-methyl-1H-imidazol-2-yl)ethyl]piperidine

• ChemBase ID: 306954
• Molecular Formular: C11H19N3
• Molecular Mass: 193.28866
• Monoisotopic Mass: 193.15789762
• SMILES: c1(n(ccn1)C)CCC1NCCCC1
• Canonical SMILES: Cn1ccnc1CCC1CCCCN1
• InChI: InChI=1S/C11H19N3/c1-14-9-8-13-11(14)6-5-10-4-2-3-7-12-10/h8-10,12H,2-7H2,1H3
• InChIKey: UGZHKOHMLHYYQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(1-methyl-1H-imidazol-2-yl)ethyl]piperidine
• IUPAC Traditional name: 2-[2-(1-methylimidazol-2-yl)ethyl]piperidine
• Synonyms: 2-[2-(1-methyl-1H-imidazol-2-yl)ethyl]piperidine

Database IDs

• MDL Number: MFCD09971163

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.022462
• LogD (pH = 7.4): -1.7025406
• Log P: 1.1457742
• Molar Refractivity: 57.7511 cm^3
• Polarizability: 22.515919 Å^3
• Polar Surface Area: 29.85 Å^2