tert-butyl 4-(N-methylacetamido)piperidine-1-carboxylate

• ChemBase ID: 63660
• Molecular Formular: C13H24N2O3
• Molecular Mass: 256.34126
• Monoisotopic Mass: 256.17869264
• SMILES: C1(N(C(=O)C)C)CCN(C(=O)OC(C)(C)C)CC1
• Canonical SMILES: CC(=O)N(C1CCN(CC1)C(=O)OC(C)(C)C)C
• InChI: InChI=1S/C13H24N2O3/c1-10(16)14(5)11-6-8-15(9-7-11)12(17)18-13(2,3)4/h11H,6-9H2,1-5H3
• InChIKey: OTJULCBBAJJDGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 4-(N-methylacetamido)piperidine-1-carboxylate
• IUPAC Traditional name: tert-butyl 4-(N-methylacetamido)piperidine-1-carboxylate
• Synonyms: tert-Butyl 4-[acetyl(methyl)amino]-piperidine-1-carboxylate

Database IDs

• CAS Number: 197727-57-4
• MDL Number: MFCD09908272
• PubChem SID: 162029399
• PubChem CID: 22061331

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.3440136
• LogD (pH = 7.4): 0.34401503
• Log P: 0.34401506
• Molar Refractivity: 69.4108 cm^3
• Polarizability: 27.082884 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%