1-(piperidin-4-yl)-1H-indole hydrochloride

• ChemBase ID: 51237
• Molecular Formular: C13H17ClN2
• Molecular Mass: 236.74048
• Monoisotopic Mass: 236.10802623
• SMILES: n1(ccc2c1cccc2)C1CCNCC1.Cl
• Canonical SMILES: N1CCC(CC1)n1ccc2c1cccc2.Cl
• InChI: InChI=1S/C13H16N2.ClH/c1-2-4-13-11(3-1)7-10-15(13)12-5-8-14-9-6-12;/h1-4,7,10,12,14H,5-6,8-9H2;1H
• InChIKey: KWSFLXYGYZPFOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(piperidin-4-yl)-1H-indole hydrochloride
• IUPAC Traditional name: 1-(piperidin-4-yl)indole hydrochloride
• Synonyms: 4-(1-Indole)piperidine hydrochloride

Database IDs

• MDL Number: MFCD02179091
• PubChem SID: 162056000
• PubChem CID: 22380687

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.2850691
• LogD (pH = 7.4): -0.6729606
• Log P: 1.939442
• Molar Refractivity: 62.1976 cm^3
• Polarizability: 25.560064 Å^3
• Polar Surface Area: 16.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%