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

• ChemBase ID: 282423
• Molecular Formular: C13H26N2O3
• Molecular Mass: 258.35714
• Monoisotopic Mass: 258.1943427
• SMILES: C(=O)(N1CCC(CC1)NCCOC)OC(C)(C)C
• Canonical SMILES: COCCNC1CCN(CC1)C(=O)OC(C)(C)C
• InChI: InChI=1S/C13H26N2O3/c1-13(2,3)18-12(16)15-8-5-11(6-9-15)14-7-10-17-4/h11,14H,5-10H2,1-4H3
• InChIKey: JDQHOQBFYIPISR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 4-[(2-methoxyethyl)amino]piperidine-1-carboxylate
• IUPAC Traditional name: tert-butyl 4-[(2-methoxyethyl)amino]piperidine-1-carboxylate
• Synonyms: 1-Boc-4-(2-Methoxyethylamino)piperidine; tert-butyl 4-[(2-methoxyethyl)amino]piperidine-1-carboxylate

Database IDs

• CAS Number: 710972-40-0
• MDL Number: MFCD06656630
• PubChem SID: 180667954
• PubChem CID: 43652134

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.5170293
• LogD (pH = 7.4): -1.6404302
• Log P: 0.68709725
• Molar Refractivity: 70.8884 cm^3
• Polarizability: 28.076847 Å^3
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.317

Product Information

• Purity: 95%; 95+%; 97%