tert-butyl 4-(2-methoxyethyl)piperidine-1-carboxylate

• ChemBase ID: 63678
• Molecular Formular: C13H25NO3
• Molecular Mass: 243.3425
• Monoisotopic Mass: 243.18344367
• SMILES: C1N(CCC(C1)CCOC)C(=O)OC(C)(C)C
• Canonical SMILES: COCCC1CCN(CC1)C(=O)OC(C)(C)C
• InChI: InChI=1S/C13H25NO3/c1-13(2,3)17-12(15)14-8-5-11(6-9-14)7-10-16-4/h11H,5-10H2,1-4H3
• InChIKey: MQFWLBMPVPCNRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 4-(2-methoxyethyl)piperidine-1-carboxylate
• IUPAC Traditional name: tert-butyl 4-(2-methoxyethyl)piperidine-1-carboxylate
• Synonyms: tert-Butyl 4-(2-methoxyethyl)-piperidine-1-carboxylate

Database IDs

• CAS Number: 509147-79-9
• MDL Number: MFCD07779473
• PubChem SID: 162029417
• PubChem CID: 21989851

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.8787163
• LogD (pH = 7.4): 1.8787163
• Log P: 1.8787163
• Molar Refractivity: 67.66 cm^3
• Polarizability: 26.547812 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%