tert-butyl 4-[(2-ethoxy-2-oxoethyl)amino]piperidine-1-carboxylate

• ChemBase ID: 44399
• Molecular Formular: C14H26N2O4
• Molecular Mass: 286.36724
• Monoisotopic Mass: 286.18925732
• SMILES: C(=O)(N1CCC(NCC(=O)OCC)CC1)OC(C)(C)C
• Canonical SMILES: CCOC(=O)CNC1CCN(CC1)C(=O)OC(C)(C)C
• InChI: InChI=1S/C14H26N2O4/c1-5-19-12(17)10-15-11-6-8-16(9-7-11)13(18)20-14(2,3)4/h11,15H,5-10H2,1-4H3
• InChIKey: BWSVCIPDXWEGMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 4-[(2-ethoxy-2-oxoethyl)amino]piperidine-1-carboxylate
• IUPAC Traditional name: tert-butyl 4-[(2-ethoxy-2-oxoethyl)amino]piperidine-1-carboxylate
• Synonyms: tert-Butyl 4-[(2-ethoxy-2-oxoethyl)amino]-tetrahydro-1(2H)-pyridinecarboxylate; tert-butyl 4-[(2-ethoxy-2-oxoethyl)amino]tetrahydro-1(2H)-pyridinecarboxylate

Database IDs

• CAS Number: 177276-49-2
• MDL Number: MFCD11046697
• PubChem SID: 162049162
• PubChem CID: 15380724

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.40005818
• LogD (pH = 7.4): 0.6531406
• Log P: 0.7147581
• Molar Refractivity: 75.4472 cm^3
• Polarizability: 30.017082 Å^3
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: Oil

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%