tert-butyl (3R)-3-[(propan-2-yl)amino]piperidine-1-carboxylate

• ChemBase ID: 180471
• Molecular Formular: C13H26N2O2
• Molecular Mass: 242.35774
• Monoisotopic Mass: 242.19942808
• SMILES: N1(C[C@@H](CCC1)NC(C)C)C(=O)OC(C)(C)C
• Canonical SMILES: CC(N[C@@H]1CCCN(C1)C(=O)OC(C)(C)C)C
• InChI: InChI=1S/C13H26N2O2/c1-10(2)14-11-7-6-8-15(9-11)12(16)17-13(3,4)5/h10-11,14H,6-9H2,1-5H3/t11-/m1/s1
• InChIKey: LFTQRMKZAXONPV-LLVKDONJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl (3R)-3-[(propan-2-yl)amino]piperidine-1-carboxylate
• IUPAC Traditional name: tert-butyl (3R)-3-(isopropylamino)piperidine-1-carboxylate
• Synonyms: (R)-tert-butyl-3-(isopropylamino)piperidine-1-carboxylate

Database IDs

• PubChem SID: 164236381
• PubChem CID: 53256475

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.248095
• LogD (pH = 7.4): -0.4654927
• Log P: 1.9648587
• Molar Refractivity: 68.7915 cm^3
• Polarizability: 27.371313 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true