trans-4-(Boc-amino)cyclohexaneethanol - CAS 917342-29-1

Name: trans-4-(Boc-amino)cyclohexaneethanol
Brand: BOC Sciences
Rating: 5 (1 reviews)

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

Technical Data

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