tert-butyl (3R)-1-aminopiperidine-3-carboxylate hydrochloride

• ChemBase ID: 806581
• Molecular Formular: C10H21ClN2O2
• Molecular Mass: 236.73894
• Monoisotopic Mass: 236.1291556
• SMILES: Cl.C1CCN(C[C@@H]1C(=O)OC(C)(C)C)N
• Canonical SMILES: NN1CCC[C@H](C1)C(=O)OC(C)(C)C.Cl
• InChI: InChI=1S/C10H20N2O2.ClH/c1-10(2,3)14-9(13)8-5-4-6-12(11)7-8;/h8H,4-7,11H2,1-3H3;1H/t8-;/m1./s1
• InChIKey: FLFMUBKILDWPLY-DDWIOCJRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl (3R)-1-aminopiperidine-3-carboxylate hydrochloride
• IUPAC Traditional name: tert-butyl (3R)-1-aminopiperidine-3-carboxylate hydrochloride
• Synonyms: R-3-BOC-AMINOPIPERIDINE-HCL

Database IDs

• CAS Number: 1217656-59-1

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.08145489
• LogD (pH = 7.4): 0.54266834
• Log P: 0.56085163
• Molar Refractivity: 55.9801 cm^3
• Polarizability: 22.041615 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%