(2R)-2-methylpiperidine

• ChemBase ID: 798768
• Molecular Formular: C6H13N
• Molecular Mass: 99.17412
• Monoisotopic Mass: 99.10479942
• SMILES: C1CCN[C@@H](C1)C
• Canonical SMILES: C[C@@H]1CCCCN1
• InChI: InChI=1S/C6H13N/c1-6-4-2-3-5-7-6/h6-7H,2-5H2,1H3/t6-/m1/s1
• InChIKey: NNWUEBIEOFQMSS-ZCFIWIBFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-methylpiperidine
• IUPAC Traditional name: (2R)-2-methylpiperidine
• Synonyms: (R)-2-methylpiperidine

Database IDs

• CAS Number: 1722-95-8

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.160124
• LogD (pH = 7.4): -1.7797133
• Log P: 1.0740627
• Molar Refractivity: 31.2542 cm^3
• Polarizability: 12.598926 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%