4-(Boc-amino)-1-(6-chloro-3-pyridazinyl)piperidine - CAS 596817-46-8
Catalog: |
BB030458 |
Product Name: |
4-(Boc-amino)-1-(6-chloro-3-pyridazinyl)piperidine |
CAS: |
596817-46-8 |
Synonyms: |
N-[1-(6-chloro-3-pyridazinyl)-4-piperidinyl]carbamic acid tert-butyl ester; tert-butyl N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]carbamate |
IUPAC Name: | tert-butyl N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]carbamate |
Description: | 4-(Boc-amino)-1-(6-chloro-3-pyridazinyl)piperidine (CAS# 596817-46-8 ) is a useful research chemical. |
Molecular Weight: | 312.80 |
Molecular Formula: | C14H21ClN4O2 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1CCN(CC1)C2=NN=C(C=C2)Cl |
InChI: | InChI=1S/C14H21ClN4O2/c1-14(2,3)21-13(20)16-10-6-8-19(9-7-10)12-5-4-11(15)17-18-12/h4-5,10H,6-9H2,1-3H3,(H,16,20) |
InChI Key: | RABXXTMSJJHLCU-UHFFFAOYSA-N |
LogP: | 3.07940 |
Publication Number | Title | Priority Date |
AU-2006204164-A1 | Non-anilinic derivatives of isothiazol-3(2H)-one 1,1-dioxides as Liver X Receptor modulators | 20050110 |
AU-2006204164-B2 | Non-anilinic derivatives of isothiazol-3(2H)-one 1,1-dioxides as Liver X Receptor modulators | 20050110 |
EP-1838687-A1 | Non-anilinic derivatives of isothiazol-3(2h)-one 1,1-dioxides as liver x receptor modulators | 20050110 |
JP-2008526844-A | Non-aniline derivatives of isothiazol-3 (2H) -one 1,1 dioxide as nuclear receptor modulators | 20050110 |
KR-20070094964-A | Non-aniline Derivatives of Isothiazole-3 (2H) -one1,1-dioxide as Liver X Receptor Regulator | 20050110 |
Complexity: | 353 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 312.1353036 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 312.1353036 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 67.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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