3-(1H-pyrrol-1-yl)piperidine

• ChemBase ID: 240580
• Molecular Formular: C9H14N2
• Molecular Mass: 150.22086
• Monoisotopic Mass: 150.11569846
• SMILES: n1(cccc1)C1CNCCC1
• Canonical SMILES: C1CCC(CN1)n1cccc1
• InChI: InChI=1S/C9H14N2/c1-2-7-11(6-1)9-4-3-5-10-8-9/h1-2,6-7,9-10H,3-5,8H2
• InChIKey: MSVVJUQLGSKKPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(1H-pyrrol-1-yl)piperidine
• IUPAC Traditional name: 3-(pyrrol-1-yl)piperidine
• Synonyms: 3-(1H-pyrrol-1-yl)piperidine

Database IDs

• MDL Number: MFCD00047330
• PubChem SID: 164296490
• PubChem CID: 19420473

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.8431243
• LogD (pH = 7.4): -1.1726903
• Log P: 1.3779671
• Molar Refractivity: 45.6491 cm^3
• Polarizability: 17.97288 Å^3
• Polar Surface Area: 16.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.255

Product Information

• Purity: 95%