2-(piperidin-4-yl)-5,6,7,8-tetrahydroindolizin-3-amine

• ChemBase ID: 236252
• Molecular Formular: C13H21N3
• Molecular Mass: 219.32594
• Monoisotopic Mass: 219.17354769
• SMILES: c1(n2c(cc1C1CCNCC1)CCCC2)N
• Canonical SMILES: Nc1c(cc2n1CCCC2)C1CCNCC1
• InChI: InChI=1S/C13H21N3/c14-13-12(10-4-6-15-7-5-10)9-11-3-1-2-8-16(11)13/h9-10,15H,1-8,14H2
• InChIKey: JUQZPUVSEZILFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidin-4-yl)-5,6,7,8-tetrahydroindolizin-3-amine
• IUPAC Traditional name: 2-(piperidin-4-yl)-5,6,7,8-tetrahydroindolizin-3-amine
• Synonyms: 2-(piperidin-4-yl)-5,6,7,8-tetrahydroindolizin-3-amine

Database IDs

• MDL Number: MFCD22196549
• PubChem SID: 164292162
• PubChem CID: 71755677

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.1057093
• LogD (pH = 7.4): -1.2434466
• Log P: 1.3353555
• Molar Refractivity: 67.6313 cm^3
• Polarizability: 25.582413 Å^3
• Polar Surface Area: 42.98 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.261

Product Information

• Purity: 95%