methyl 2-methyl-2-(piperidin-3-yl)propanoate

• ChemBase ID: 246473
• Molecular Formular: C10H19NO2
• Molecular Mass: 185.26336
• Monoisotopic Mass: 185.14157885
• SMILES: C(C(=O)OC)(C1CNCCC1)(C)C
• Canonical SMILES: COC(=O)C(C1CCCNC1)(C)C
• InChI: InChI=1S/C10H19NO2/c1-10(2,9(12)13-3)8-5-4-6-11-7-8/h8,11H,4-7H2,1-3H3
• InChIKey: QENSNLDBNYVJNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-methyl-2-(piperidin-3-yl)propanoate
• IUPAC Traditional name: methyl 2-methyl-2-(piperidin-3-yl)propanoate
• Synonyms: methyl 2-methyl-2-(piperidin-3-yl)propanoate

Database IDs

• PubChem SID: 164302383
• PubChem CID: 66887929

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8159823
• LogD (pH = 7.4): -0.9744048
• Log P: 1.391682
• Molar Refractivity: 51.418 cm^3
• Polarizability: 20.710838 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.121

Product Information

• Purity: 95%