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

• ChemBase ID: 307138
• Molecular Formular: C11H19N3
• Molecular Mass: 193.28866
• Monoisotopic Mass: 193.15789762
• SMILES: n1(c(ncc1)C)CCC1NCCCC1
• Canonical SMILES: Cc1nccn1CCC1CCCCN1
• InChI: InChI=1S/C11H19N3/c1-10-12-7-9-14(10)8-5-11-4-2-3-6-13-11/h7,9,11,13H,2-6,8H2,1H3
• InChIKey: MKRROSUSQSOCPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09055294

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.4387398
• LogD (pH = 7.4): -2.2566912
• Log P: 0.8072061
• Molar Refractivity: 57.7522 cm^3
• Polarizability: 22.516264 Å^3
• Polar Surface Area: 29.85 Å^2