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

• ChemBase ID: 143756
• Molecular Formular: C10H19Cl2N3
• Molecular Mass: 252.18396
• Monoisotopic Mass: 251.09560298
• SMILES: c1cn(cn1)CCC1CCCCN1.Cl.Cl
• Canonical SMILES: C1CCC(NC1)CCn1cncc1.Cl.Cl
• InChI: InChI=1S/C10H17N3.2ClH/c1-2-5-12-10(3-1)4-7-13-8-6-11-9-13;;/h6,8-10,12H,1-5,7H2;2*1H
• InChIKey: UEFYHXVTASQIJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13031907
• PubChem SID: 162237973
• PubChem CID: 45595302

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
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C10H19Cl2N3

DETAILS

Sigma Aldrich - CBR00638

Other Notes
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