3-(2-methyl-1H-imidazol-1-yl)piperidine

• ChemBase ID: 271414
• Molecular Formular: C9H15N3
• Molecular Mass: 165.2355
• Monoisotopic Mass: 165.1265975
• SMILES: n1(c(ncc1)C)C1CNCCC1
• Canonical SMILES: Cc1nccn1C1CCCNC1
• InChI: InChI=1S/C9H15N3/c1-8-11-5-6-12(8)9-3-2-4-10-7-9/h5-6,9-10H,2-4,7H2,1H3
• InChIKey: RKGOASXMKWMIMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-methyl-1H-imidazol-1-yl)piperidine
• IUPAC Traditional name: 3-(2-methylimidazol-1-yl)piperidine
• Synonyms: 3-(2-methyl-1H-imidazol-1-yl)piperidine

Database IDs

• MDL Number: MFCD14632035
• PubChem SID: 164327324
• PubChem CID: 54592638

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.84195
• LogD (pH = 7.4): -2.2525887
• Log P: 0.30267772
• Molar Refractivity: 48.2858 cm^3
• Polarizability: 18.82911 Å^3
• Polar Surface Area: 29.85 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.297

Product Information

• Purity: 95%