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

• ChemBase ID: 236250
• Molecular Formular: C13H21N3
• Molecular Mass: 219.32594
• Monoisotopic Mass: 219.17354769
• SMILES: c1(c(n2c(c1)CCCC2)N)C1NCCCC1
• Canonical SMILES: Nc1c(cc2n1CCCC2)C1CCCCN1
• InChI: InChI=1S/C13H21N3/c14-13-11(12-6-1-3-7-15-12)9-10-5-2-4-8-16(10)13/h9,12,15H,1-8,14H2
• InChIKey: DCCCOOSVCKYUCR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22196547
• PubChem SID: 164292160
• PubChem CID: 71755675

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.4662529
• LogD (pH = 7.4): -0.32459745
• Log P: 1.6987725
• Molar Refractivity: 67.2705 cm^3
• Polarizability: 25.658987 Å^3
• Polar Surface Area: 42.98 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.661

Product Information

• Purity: 95%