2-(1-methyl-1H-pyrrol-2-yl)piperidine

• ChemBase ID: 285643
• Molecular Formular: C10H16N2
• Molecular Mass: 164.24744
• Monoisotopic Mass: 164.13134852
• SMILES: c1(n(ccc1)C)C1NCCCC1
• Canonical SMILES: Cn1cccc1C1CCCCN1
• InChI: InChI=1S/C10H16N2/c1-12-8-4-6-10(12)9-5-2-3-7-11-9/h4,6,8-9,11H,2-3,5,7H2,1H3
• InChIKey: XJFSGOBXUPDUBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-methyl-1H-pyrrol-2-yl)piperidine
• IUPAC Traditional name: 2-(1-methylpyrrol-2-yl)piperidine
• Synonyms: 2-(1-methyl-1H-pyrrol-2-yl)piperidine

Database IDs

• MDL Number: MFCD11191294
• PubChem SID: 180671174
• PubChem CID: 43121988

CALCULATED PROPERTIES

• Log P: 1.6652892
• Molar Refractivity: 50.6512 cm^3
• Polarizability: 19.815115 Å^3
• Polar Surface Area: 16.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.4552287
• LogD (pH = 7.4): -0.15716617

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.565

Product Information

• Purity: 95%