tert-butyl 4-(ethylamino)piperidine-1-carboxylate

• ChemBase ID: 63844
• Molecular Formular: C12H24N2O2
• Molecular Mass: 228.33116
• Monoisotopic Mass: 228.18377802
• SMILES: C1C(CCN(C1)C(=O)OC(C)(C)C)NCC
• Canonical SMILES: CCNC1CCN(CC1)C(=O)OC(C)(C)C
• InChI: InChI=1S/C12H24N2O2/c1-5-13-10-6-8-14(9-7-10)11(15)16-12(2,3)4/h10,13H,5-9H2,1-4H3
• InChIKey: SRDSJYNZSNVSGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 4-(ethylamino)piperidine-1-carboxylate
• IUPAC Traditional name: tert-butyl 4-(ethylamino)piperidine-1-carboxylate
• Synonyms: 4-(Ethylamino)piperidine, N1-BOC protected; 1-Boc-4-Ethylaminopiperidine

Database IDs

• CAS Number: 264905-39-7
• MDL Number: MFCD06808580
• PubChem SID: 162029583
• PubChem CID: 18374730

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1429458
• LogD (pH = 7.4): -1.7511573
• Log P: 1.0908808
• Molar Refractivity: 64.5935 cm^3
• Polarizability: 25.531202 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 97%; 98%