methyl (3R)-piperidine-3-carboxylate

• ChemBase ID: 804964
• Molecular Formular: C7H13NO2
• Molecular Mass: 143.18362
• Monoisotopic Mass: 143.09462866
• SMILES: O(C(=O)[C@@H]1CCCNC1)C
• Canonical SMILES: COC(=O)[C@@H]1CCCNC1
• InChI: InChI=1S/C7H13NO2/c1-10-7(9)6-3-2-4-8-5-6/h6,8H,2-5H2,1H3/t6-/m1/s1
• InChIKey: BCDBHIAXYFPJCT-ZCFIWIBFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl (3R)-piperidine-3-carboxylate
• IUPAC Traditional name: methyl (3R)-piperidine-3-carboxylate
• Synonyms: (R)-METHYL NIPECOTATE

Database IDs

• CAS Number: 164323-85-7

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.9434247
• LogD (pH = 7.4): -1.6599541
• Log P: 0.18203369
• Molar Refractivity: 37.6904 cm^3
• Polarizability: 15.197755 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%