methyl (2R)-piperidine-2-carboxylate

• ChemBase ID: 68095
• Molecular Formular: C7H13NO2
• Molecular Mass: 143.18362
• Monoisotopic Mass: 143.09462866
• SMILES: N1[C@H](CCCC1)C(=O)OC
• Canonical SMILES: COC(=O)[C@H]1CCCCN1
• InChI: InChI=1S/C7H13NO2/c1-10-7(9)6-4-2-3-5-8-6/h6,8H,2-5H2,1H3/t6-/m1/s1
• InChIKey: CXQTTWVBUDFUNO-ZCFIWIBFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl (2R)-piperidine-2-carboxylate
• IUPAC Traditional name: methyl (2R)-piperidine-2-carboxylate
• Synonyms: Methyl (R)-piperidine-2-carboxylate

Database IDs

• CAS Number: 43041-11-8
• MDL Number: MFCD07779460
• PubChem SID: 162033827
• PubChem CID: 7408456

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.5704855
• LogD (pH = 7.4): 0.4386968
• Log P: 0.4933213
• Molar Refractivity: 37.4344 cm^3
• Polarizability: 15.197755 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%