tert-butyl 2-(piperidin-3-yl)pyrrolidine-1-carboxylate

• ChemBase ID: 254373
• Molecular Formular: C14H26N2O2
• Molecular Mass: 254.36844
• Monoisotopic Mass: 254.19942808
• SMILES: C(=O)(N1C(C2CNCCC2)CCC1)OC(C)(C)C
• Canonical SMILES: O=C(N1CCCC1C1CCCNC1)OC(C)(C)C
• InChI: InChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)16-9-5-7-12(16)11-6-4-8-15-10-11/h11-12,15H,4-10H2,1-3H3
• InChIKey: OODLDFTYCOMPAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 2-(piperidin-3-yl)pyrrolidine-1-carboxylate
• IUPAC Traditional name: tert-butyl 2-(piperidin-3-yl)pyrrolidine-1-carboxylate
• Synonyms: tert-butyl 2-piperidin-3-ylpyrrolidine-1-carboxylate

Database IDs

• MDL Number: MFCD09702197
• PubChem SID: 164310283
• PubChem CID: 16228807

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5261714
• LogD (pH = 7.4): -0.9828514
• Log P: 1.7017947
• Molar Refractivity: 71.7753 cm^3
• Polarizability: 28.48516 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.44

Product Information

• Purity: 95%