(1-Ethyl-piperidin-3-yl)-carbamic Acid tert-Butyl Ester - CAS 1284935-69-8
Catalog: |
BB065492 |
Product Name: |
(1-Ethyl-piperidin-3-yl)-carbamic Acid tert-Butyl Ester |
CAS: |
1284935-69-8 |
Synonyms: |
(1-ETHYL-PIPERIDIN-3-YL)-CARBAMIC ACID TERT-BUTYL ESTER |
IUPAC Name: | tert-butyl N-(1-ethylpiperidin-3-yl)carbamate |
Description: | (1-Ethyl-piperidin-3-yl)-carbamic Acid tert-Butyl Ester is an intermediate in the synthesis of 4-Amino-N-(1-ethyl-3-piperidinyl)-5-(ethylsulfonyl)-2-methoxybenzamide (A609495), which is an impurity of Amisulpride (A633250). Amisulpride EP Impurity G. |
Molecular Weight: | 228.33 |
Molecular Formula: | C12H24N2O2 |
Canonical SMILES: | CCN1CCCC(C1)NC(=O)OC(C)(C)C |
InChI: | InChI=1S/C12H24N2O2/c1-5-14-8-6-7-10(9-14)13-11(15)16-12(2,3)4/h10H,5-9H2,1-4H3,(H,13,15) |
InChI Key: | ADHDPNAOCNHJJI-UHFFFAOYSA-N |
Complexity: | 236 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.183778013 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.183778013 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 41.6Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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