trans-4-(Boc-amino)cyclohexaneethanol - CAS 917342-29-1
Catalog: |
BB040329 |
Product Name: |
trans-4-(Boc-amino)cyclohexaneethanol |
CAS: |
917342-29-1 |
Synonyms: |
N-[4-(2-hydroxyethyl)cyclohexyl]carbamic acid tert-butyl ester; tert-butyl N-[4-(2-hydroxyethyl)cyclohexyl]carbamate |
IUPAC Name: | tert-butyl N-[4-(2-hydroxyethyl)cyclohexyl]carbamate |
Description: | trans-1-(Boc-amino)-4-(2-hydroxyethyl)cyclohexane can be used for preparing quinolinones and analogs for treating multi-drug resistant bacterial infections. It can also be used for preparing the antipsychotic drug Cariprazine. |
Molecular Weight: | 243.34 |
Molecular Formula: | C13H25NO3 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1CCC(CC1)CCO |
InChI: | InChI=1S/C13H25NO3/c1-13(2,3)17-12(16)14-11-6-4-10(5-7-11)8-9-15/h10-11,15H,4-9H2,1-3H3,(H,14,16) |
InChI Key: | KTNFSGIXLVLQNK-UHFFFAOYSA-N |
Appearance: | Off white solid |
LogP: | 2.84320 |
Publication Number | Title | Priority Date |
WO-2021022890-A1 | Cyclohexanamine d3/d2 receptor partial agonist | 20190806 |
WO-2020034945-A1 | Method for preparing cyclohexane derivative | 20180814 |
WO-2019116256-A1 | Fused pyridines which act as inhibitors of h-pgds | 20171213 |
EP-3532462-A1 | Acyl sulfonamide nav1.7 inhibitors | 20161027 |
US-2020048240-A1 | Acyl sulfonamide nav1.7 inhibitors | 20161027 |
Complexity: | 240 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 243.18344366 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 243.18344366 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 58.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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