2-methyl-1-[2-(pyridin-3-yl)piperidin-1-yl]propan-1-one

• ChemBase ID: 188004
• Molecular Formular: C14H20N2O
• Molecular Mass: 232.3214
• Monoisotopic Mass: 232.15756327
• SMILES: N1(C(=O)C(C)C)C(c2cnccc2)CCCC1
• Canonical SMILES: O=C(N1CCCCC1c1cccnc1)C(C)C
• InChI: InChI=1S/C14H20N2O/c1-11(2)14(17)16-9-4-3-7-13(16)12-6-5-8-15-10-12/h5-6,8,10-11,13H,3-4,7,9H2,1-2H3
• InChIKey: VGFUATXTFHZIEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-1-[2-(pyridin-3-yl)piperidin-1-yl]propan-1-one
• IUPAC Traditional name: 2-methyl-1-[2-(pyridin-3-yl)piperidin-1-yl]propan-1-one

Database IDs

• PubChem SID: 164243914
• PubChem CID: 3822923

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.0089214
• LogD (pH = 7.4): 2.0765667
• Log P: 2.07752
• Molar Refractivity: 67.7286 cm^3
• Polarizability: 26.47858 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: Polymer (?m
• Classification: Rare Derivatives of Natural Compounds