4-ethylpiperidine-4-carbonitrile

• ChemBase ID: 309923
• Molecular Formular: C8H14N2
• Molecular Mass: 138.21016
• Monoisotopic Mass: 138.11569846
• SMILES: N#CC1(CC)CCNCC1
• Canonical SMILES: CCC1(CCNCC1)C#N
• InChI: InChI=1S/C8H14N2/c1-2-8(7-9)3-5-10-6-4-8/h10H,2-6H2,1H3
• InChIKey: RDTAATZMSHBUDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethylpiperidine-4-carbonitrile
• IUPAC Traditional name: 4-ethylpiperidine-4-carbonitrile
• Synonyms: 4-ethyl-4-piperidinecarbonitrile

Database IDs

• MDL Number: MFCD22370148

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.198889
• LogD (pH = 7.4): -0.95460606
• Log P: 0.93876404
• Molar Refractivity: 41.1566 cm^3
• Polarizability: 16.10553 Å^3
• Polar Surface Area: 35.82 Å^2