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

• ChemBase ID: 307137
• Molecular Formular: C10H17N3
• Molecular Mass: 179.26208
• Monoisotopic Mass: 179.14224756
• SMILES: n1cn(cc1)CCC1NCCCC1
• Canonical SMILES: C1CCC(NC1)CCn1cncc1
• InChI: InChI=1S/C10H17N3/c1-2-5-12-10(3-1)4-7-13-8-6-11-9-13/h6,8-10,12H,1-5,7H2
• InChIKey: JXFKUPRQMYDHOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 278789-09-6
• MDL Number: MFCD08059848

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.0817633
• LogD (pH = 7.4): -2.2034996
• Log P: 0.6841414
• Molar Refractivity: 53.3115 cm^3
• Polarizability: 20.75101 Å^3
• Polar Surface Area: 29.85 Å^2