2-(2-ethylpiperidin-1-yl)acetonitrile

• ChemBase ID: 274633
• Molecular Formular: C9H16N2
• Molecular Mass: 152.23674
• Monoisotopic Mass: 152.13134852
• SMILES: N1(C(CC)CCCC1)CC#N
• Canonical SMILES: CCC1CCCCN1CC#N
• InChI: InChI=1S/C9H16N2/c1-2-9-5-3-4-7-11(9)8-6-10/h9H,2-5,7-8H2,1H3
• InChIKey: RXHHVICXMRATAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-ethylpiperidin-1-yl)acetonitrile
• IUPAC Traditional name: 2-(2-ethylpiperidin-1-yl)acetonitrile
• Synonyms: 2-(2-ethylpiperidin-1-yl)acetonitrile

Database IDs

• MDL Number: MFCD09906882
• PubChem SID: 164330543
• PubChem CID: 6422532

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.5859726
• LogD (pH = 7.4): 1.4762766
• Log P: 1.5155652
• Molar Refractivity: 46.1368 cm^3
• Polarizability: 17.949629 Å^3
• Polar Surface Area: 27.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.807

Product Information

• Purity: 95%