(1-Propionylpiperidin-4-yl)methyl methanesulfonate - CAS 1357353-59-3

Catalog:	BB059954
Product Name:	(1-Propionylpiperidin-4-yl)methyl methanesulfonate
CAS:	1357353-59-3
Synonyms:	1-[4-[[(Methylsulfonyl)oxy]methyl]-1-piperidinyl]-1-propanone

Technical Data

IUPAC Name:	(1-propanoylpiperidin-4-yl)methyl methanesulfonate
Description:	(1-Propionylpiperidin-4-yl)methyl methanesulfonate is useful for preparing 5- HT4 receptor agonists.
Molecular Weight:	249.33
Molecular Formula:	C10H19NO4S
Canonical SMILES:	CCC(=O)N1CCC(CC1)COS(=O)(=O)C
InChI:	InChI=1S/C10H19NO4S/c1-3-10(12)11-6-4-9(5-7-11)8-15-16(2,13)14/h9H,3-8H2,1-2H3
InChI Key:	KGJFVQWLJUNOFV-UHFFFAOYSA-N
Solubility:	Chloroform (Slightly), Methanol (Slightly)
Appearance:	Colourless to Pale Yellow Oil
Storage:	Refrigerator, under inert atmosphere
References:	Park, J. S., et al. Eur. J. Med. Chem., 109, 75 (2016).

Complexity:	325
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	249.10347926
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	249.10347926
Rotatable Bond Count:	4
Topological Polar Surface Area:	72.1Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4