tert-butyl N-[2-(piperidin-4-yl)ethyl]carbamate

• ChemBase ID: 80069
• Molecular Formular: C12H24N2O2
• Molecular Mass: 228.33116
• Monoisotopic Mass: 228.18377802
• SMILES: N1CCC(CC1)CCNC(=O)OC(C)(C)C
• Canonical SMILES: O=C(OC(C)(C)C)NCCC1CCNCC1
• InChI: InChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)14-9-6-10-4-7-13-8-5-10/h10,13H,4-9H2,1-3H3,(H,14,15)
• InChIKey: RQRMFFGCUUGYPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-[2-(piperidin-4-yl)ethyl]carbamate
• IUPAC Traditional name: tert-butyl N-[2-(piperidin-4-yl)ethyl]carbamate
• Synonyms: tert-Butyl [2-(piperidin-4-yl)ethyl]carbamate; N-(tert-Butoxycarbonyl)-2-(piperidin-4-yl)ethylamine; 4-(2-Aminoethyl)piperidine, 4-BOC protected; 4-(2-Boc-aminoethyl)piperidine

Database IDs

• CAS Number: 165528-81-4
• MDL Number: MFCD01318373
• PubChem SID: 162067189
• PubChem CID: 1501849

CALCULATED PROPERTIES

• Acid pKa: 16.09459
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.8939745
• LogD (pH = 7.4): -1.4376168
• Log P: 1.3376124
• Molar Refractivity: 64.4442 cm^3
• Polarizability: 25.531202 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 48-50°C

Safety Information

• Storage Warning: Irritant/Harmful/Corrosive

Product Information

• Purity: 95+%