4-(piperidin-1-yl)butanenitrile

• ChemBase ID: 124101
• Molecular Formular: C9H16N2
• Molecular Mass: 152.23674
• Monoisotopic Mass: 152.13134852
• SMILES: N#CCCCN1CCCCC1
• Canonical SMILES: N#CCCCN1CCCCC1
• InChI: InChI=1S/C9H16N2/c10-6-2-5-9-11-7-3-1-4-8-11/h1-5,7-9H2
• InChIKey: CVROVTGNNDIZNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(piperidin-1-yl)butanenitrile
• IUPAC Traditional name: 1-piperidinebutyronitrile
• Synonyms: 4-(piperidin-1-yl)butanenitrile

Database IDs

• PubChem SID: 162218454
• PubChem CID: 78403

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -2.0740912
• LogD (pH = 7.4): -0.4590542
• Log P: 1.1021417
• Molar Refractivity: 46.6484 cm^3
• Polarizability: 17.949629 Å^3
• Polar Surface Area: 27.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true