tert-butyl 4-(aminomethyl)-4-[ethyl(methyl)amino]piperidine-1-carboxylate

• ChemBase ID: 282494
• Molecular Formular: C14H29N3O2
• Molecular Mass: 271.39896
• Monoisotopic Mass: 271.22597718
• SMILES: C(=O)(N1CCC(CC1)(N(CC)C)CN)OC(C)(C)C
• Canonical SMILES: CCN(C1(CN)CCN(CC1)C(=O)OC(C)(C)C)C
• InChI: InChI=1S/C14H29N3O2/c1-6-16(5)14(11-15)7-9-17(10-8-14)12(18)19-13(2,3)4/h6-11,15H2,1-5H3
• InChIKey: OUAVMVJWQMZXSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 4-(aminomethyl)-4-[ethyl(methyl)amino]piperidine-1-carboxylate
• IUPAC Traditional name: tert-butyl 4-(aminomethyl)-4-[ethyl(methyl)amino]piperidine-1-carboxylate
• Synonyms: tert-butyl 4-(aminomethyl)-4-[ethyl(methyl)amino]piperidine-1-carboxylate

Database IDs

• MDL Number: MFCD18089612
• PubChem SID: 180668025
• PubChem CID: 50987940

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.1156507
• LogD (pH = 7.4): -1.8975492
• Log P: 0.60071355
• Molar Refractivity: 77.7276 cm^3
• Polarizability: 30.739689 Å^3
• Polar Surface Area: 58.8 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.741

Product Information

• Purity: 95%