trans-4-Morpholinocyclohexanol - CAS 1228947-14-5

Catalog:	BB058945
Product Name:	trans-4-Morpholinocyclohexanol
CAS:	1228947-14-5
Synonyms:	trans-4-(4-Morpholinyl)cyclohexanol; trans-4-(Morpholin-4-yl)cyclohexan-1-ol

Technical Data

IUPAC Name:	4-morpholin-4-ylcyclohexan-1-ol
Description:	trans-4-Morpholinocyclohexanol is a reagent used in the preparation of quinazoline and quinoline derivatives which act as interleukin-1 receptor-associated kinases (IRAK) inhibitors.
Molecular Weight:	185.26
Molecular Formula:	C10H19NO2
Canonical SMILES:	C1CC(CCC1N2CCOCC2)O
InChI:	InChI=1S/C10H19NO2/c12-10-3-1-9(2-4-10)11-5-7-13-8-6-11/h9-10,12H,1-8H2
InChI Key:	AIFIVCWONKRRJQ-UHFFFAOYSA-N
References:	Romero, D.L., et al. prepn. of quinazoline and quinoline derivatives as interleukin-1 receptor-assocd. kinases (IRAK) inhibitors, WO 2015164374, Oct 29 (2015).

Complexity:	149
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	185.141578849
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	185.141578849
Rotatable Bond Count:	1
Topological Polar Surface Area:	32.7Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5