2-(2,6-dimethylpiperidin-1-yl)acetonitrile

• ChemBase ID: 259469
• Molecular Formular: C9H16N2
• Molecular Mass: 152.23674
• Monoisotopic Mass: 152.13134852
• SMILES: N1(C(CCCC1C)C)CC#N
• Canonical SMILES: CC1CCCC(N1CC#N)C
• InChI: InChI=1S/C9H16N2/c1-8-4-3-5-9(2)11(8)7-6-10/h8-9H,3-5,7H2,1-2H3
• InChIKey: NLOSAIIVENGARV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,6-dimethylpiperidin-1-yl)acetonitrile
• IUPAC Traditional name: 2-(2,6-dimethylpiperidin-1-yl)acetonitrile
• Synonyms: 2-(2,6-dimethylpiperidin-1-yl)acetonitrile

Database IDs

• MDL Number: MFCD09906883
• PubChem SID: 164315379
• PubChem CID: 12765385

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.45430183
• LogD (pH = 7.4): 1.367733
• Log P: 1.4096178
• Molar Refractivity: 46.0316 cm^3
• Polarizability: 17.949629 Å^3
• Polar Surface Area: 27.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.797

Product Information

• Purity: 95%