piperidine-2-carbonitrile

• ChemBase ID: 165144
• Molecular Formular: C6H10N2
• Molecular Mass: 111.14965484
• Monoisotopic Mass: 111.08775317
• SMILES: C1CNC(CC1)[13C]#N
• Canonical SMILES: N#[13C]C1CCCCN1
• InChI: InChI=1S/C6H10N2/c7-5-6-3-1-2-4-8-6/h6,8H,1-4H2/i5+1
• InChIKey: YAVXLTMRALFZIS-HOSYLAQJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: piperidine-2-carbonitrile
• IUPAC Traditional name: piperidine-2-carbonitrile
• Synonyms: 2-Piperidinecarbonitrile-13C; Pipecolonitrile-13C; (±)-2-Piperidinecarbonitrile-13C; 2-Cyanopiperidine-13C; 2-Cyanopiperidine-13C

Database IDs

• PubChem SID: 162259277
• PubChem CID: 71315056

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

Physical Property

• Solubility: Dichloromethane
• Apperance: Colorless Oil