tert-butyl 2-(2-aminoethyl)piperidine-1-carboxylate

• ChemBase ID: 287396
• Molecular Formular: C12H24N2O2
• Molecular Mass: 228.33116
• Monoisotopic Mass: 228.18377802
• SMILES: O=C(N1C(CCN)CCCC1)OC(C)(C)C
• Canonical SMILES: NCCC1CCCCN1C(=O)OC(C)(C)C
• InChI: InChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)14-9-5-4-6-10(14)7-8-13/h10H,4-9,13H2,1-3H3
• InChIKey: QLEBCEWTHGUFFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 2-(2-aminoethyl)piperidine-1-carboxylate
• IUPAC Traditional name: tert-butyl 2-(2-aminoethyl)piperidine-1-carboxylate
• Synonyms: tert-butyl 2-(2-aminoethyl)piperidine-1-carboxylate; 2-(Aminoethyl)-1-N-Boc-piperidine

Database IDs

• CAS Number: 239482-98-5
• MDL Number: MFCD01631187
• PubChem SID: 180672927
• PubChem CID: 2756421

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7446263
• LogD (pH = 7.4): -1.0138642
• Log P: 1.2634237
• Molar Refractivity: 64.3159 cm^3
• Polarizability: 25.531202 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%