(2S)-piperidine-2-carbonitrile

• ChemBase ID: 813345
• Molecular Formular: C6H10N2
• Molecular Mass: 110.157
• Monoisotopic Mass: 110.08439833
• SMILES: C1CCN[C@@H](C1)C#N
• Canonical SMILES: N#C[C@@H]1CCCCN1
• InChI: InChI=1S/C6H10N2/c7-5-6-3-1-2-4-8-6/h6,8H,1-4H2/t6-/m0/s1
• InChIKey: YAVXLTMRALFZIS-LURJTMIESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-piperidine-2-carbonitrile
• IUPAC Traditional name: (2S)-piperidine-2-carbonitrile
• Synonyms: (S) 2-CYANOPIPERIDINE

Database IDs

• CAS Number: 42457-10-3

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.085559316
• LogD (pH = 7.4): 0.39404657
• Log P: 0.40537614
• Molar Refractivity: 31.6446 cm^3
• Polarizability: 12.41968 Å^3
• Polar Surface Area: 35.82 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%