N-Boc-3-cyclopropylpiperidine-4-carboxylic Acid Ethyl Ester - CAS 1346602-87-6
Catalog: |
BB061864 |
Product Name: |
N-Boc-3-cyclopropylpiperidine-4-carboxylic Acid Ethyl Ester |
CAS: |
1346602-87-6 |
Synonyms: |
Ethyl N-Boc-3-cyclopropylpiperidine-4-carboxylate |
IUPAC Name: | 1-O-tert-butyl 3-O-ethyl 3-cyclopropylpiperidine-1,3-dicarboxylate |
Description: | A 1,4-substituted piperidine derivative. |
Molecular Weight: | 297.39 |
Molecular Formula: | C16H27NO4 |
Canonical SMILES: | CCOC(=O)C1(CCCN(C1)C(=O)OC(C)(C)C)C2CC2 |
InChI: | InChI=1S/C16H27NO4/c1-5-20-13(18)16(12-7-8-12)9-6-10-17(11-16)14(19)21-15(2,3)4/h12H,5-11H2,1-4H3 |
InChI Key: | XYHJMQCWFBBFML-UHFFFAOYSA-N |
Complexity: | 411 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 297.19400834 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 297.19400834 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 55.8Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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