ethyl 1-cyclopropanecarbonylpiperidine-3-carboxylate

• ChemBase ID: 264913
• Molecular Formular: C12H19NO3
• Molecular Mass: 225.28416
• Monoisotopic Mass: 225.13649347
• SMILES: N1(C(=O)C2CC2)CC(C(=O)OCC)CCC1
• Canonical SMILES: CCOC(=O)C1CCCN(C1)C(=O)C1CC1
• InChI: InChI=1S/C12H19NO3/c1-2-16-12(15)10-4-3-7-13(8-10)11(14)9-5-6-9/h9-10H,2-8H2,1H3
• InChIKey: GHSKOXMJKSBMOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 1-cyclopropanecarbonylpiperidine-3-carboxylate
• IUPAC Traditional name: ethyl 1-cyclopropanecarbonylpiperidine-3-carboxylate
• Synonyms: ethyl 1-cyclopropanecarbonylpiperidine-3-carboxylate

Database IDs

• MDL Number: MFCD00248168
• PubChem SID: 164320823
• PubChem CID: 43404451

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.9285791
• LogD (pH = 7.4): 0.9285801
• Log P: 0.92858016
• Molar Refractivity: 59.4041 cm^3
• Polarizability: 23.380445 Å^3
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.114

Product Information

• Purity: 95%