tert-butyl piperidine-3-carboxylate

• ChemBase ID: 29862
• Molecular Formular: C10H19NO2
• Molecular Mass: 185.26336
• Monoisotopic Mass: 185.14157885
• SMILES: C1CNCC(C1)C(=O)OC(C)(C)C
• Canonical SMILES: O=C(C1CCCNC1)OC(C)(C)C
• InChI: InChI=1S/C10H19NO2/c1-10(2,3)13-9(12)8-5-4-6-11-7-8/h8,11H,4-7H2,1-3H3
• InChIKey: RHNAXBBEIVHVQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl piperidine-3-carboxylate
• IUPAC Traditional name: tert-butyl piperidine-3-carboxylate
• Synonyms: tert-Butyl piperidine-3-carboxylate

Database IDs

• CAS Number: 301180-05-2
• MDL Number: MFCD11041017
• PubChem SID: 160993169
• PubChem CID: 4227171

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8894596
• LogD (pH = 7.4): -0.6059721
• Log P: 1.2359934
• Molar Refractivity: 51.496 cm^3
• Polarizability: 20.710838 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%