ethyl 2-(4-aminopiperidin-1-yl)acetate

• ChemBase ID: 286494
• Molecular Formular: C9H18N2O2
• Molecular Mass: 186.25142
• Monoisotopic Mass: 186.13682783
• SMILES: N1(CC(=O)OCC)CCC(CC1)N
• Canonical SMILES: CCOC(=O)CN1CCC(CC1)N
• InChI: InChI=1S/C9H18N2O2/c1-2-13-9(12)7-11-5-3-8(10)4-6-11/h8H,2-7,10H2,1H3
• InChIKey: KEDYVZWXUHWODZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(4-aminopiperidin-1-yl)acetate
• IUPAC Traditional name: ethyl 2-(4-aminopiperidin-1-yl)acetate
• Synonyms: ethyl 2-(4-aminopiperidin-1-yl)acetate

Database IDs

• MDL Number: MFCD09047632
• PubChem SID: 180672025
• PubChem CID: 16775205

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.0856457
• LogD (pH = 7.4): -3.3324573
• Log P: -0.6179674
• Molar Refractivity: 50.9722 cm^3
• Polarizability: 20.40019 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.05

Product Information

• Purity: 95%