methyl 2-(piperidin-2-yl)acetate

• ChemBase ID: 261549
• Molecular Formular: C8H15NO2
• Molecular Mass: 157.2102
• Monoisotopic Mass: 157.11027873
• SMILES: C(C(=O)OC)C1NCCCC1
• Canonical SMILES: COC(=O)CC1CCCCN1
• InChI: InChI=1S/C8H15NO2/c1-11-8(10)6-7-4-2-3-5-9-7/h7,9H,2-6H2,1H3
• InChIKey: KNLRJTRKAHPHEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09971805
• PubChem SID: 164317459
• PubChem CID: 5214606

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5666215
• LogD (pH = 7.4): -1.3475978
• Log P: 0.57814485
• Molar Refractivity: 42.0587 cm^3
• Polarizability: 17.03371 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.154

Product Information

• Purity: 95%