4-(1H-pyrrol-1-yl)piperidine

• ChemBase ID: 265753
• Molecular Formular: C9H14N2
• Molecular Mass: 150.22086
• Monoisotopic Mass: 150.11569846
• SMILES: n1(cccc1)C1CCNCC1
• Canonical SMILES: N1CCC(CC1)n1cccc1
• InChI: InChI=1S/C9H14N2/c1-2-8-11(7-1)9-3-5-10-6-4-9/h1-2,7-10H,3-6H2
• InChIKey: FUQWPFAUFIMXFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1H-pyrrol-1-yl)piperidine
• IUPAC Traditional name: 4-(pyrrol-1-yl)piperidine
• Synonyms: 4-(1H-pyrrol-1-yl)piperidine

Database IDs

• MDL Number: MFCD02677750
• PubChem SID: 164321663
• PubChem CID: 21922730

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.3039482
• LogD (pH = 7.4): -1.6918598
• Log P: 0.9205642
• Molar Refractivity: 45.8699 cm^3
• Polarizability: 17.97297 Å^3
• Polar Surface Area: 16.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 69 - 71°C
• Hydrophobicity(logP): 0.826

Product Information

• Purity: 95%