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

• ChemBase ID: 236251
• Molecular Formular: C13H21N3
• Molecular Mass: 219.32594
• Monoisotopic Mass: 219.17354769
• SMILES: c1(n2c(cc1C1CNCCC1)CCCC2)N
• Canonical SMILES: Nc1c(cc2n1CCCC2)C1CCCNC1
• InChI: InChI=1S/C13H21N3/c14-13-12(10-4-3-6-15-9-10)8-11-5-1-2-7-16(11)13/h8,10,15H,1-7,9,14H2
• InChIKey: GLBCBXAETBIBEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22196548
• PubChem SID: 164292161
• PubChem CID: 71755676

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.9336181
• LogD (pH = 7.4): -1.1991353
• Log P: 1.4133092
• Molar Refractivity: 67.5543 cm^3
• Polarizability: 25.58192 Å^3
• Polar Surface Area: 42.98 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.411

Product Information

• Purity: 95%