2-(1-Methyl-4-piperidinylidene)acetic Acid Ethyl Ester - CAS 28399-82-8

Catalog:	BB059503
Product Name:	2-(1-Methyl-4-piperidinylidene)acetic Acid Ethyl Ester
CAS:	28399-82-8
Synonyms:	(1-Methyl-4-piperidinylidene)acetic Acid Ethyl Ester; 1-Methyl-Δ4,α-piperidineacetic Acid Ethyl Ester; NSC 121144

Technical Data

IUPAC Name:	ethyl 2-(1-methylpiperidin-4-ylidene)acetate
Description:	2-(1-Methyl-4-piperidinylidene)acetic Acid Ethyl Ester is applied towards the synthesis of oxadiazaspirodecanones and other ketone functional related compounds that act as M1 muscarinic agonists.
Molecular Weight:	183.25
Molecular Formula:	C10H17NO2
Canonical SMILES:	CCOC(=O)C=C1CCN(CC1)C
InChI:	InChI=1S/C10H17NO2/c1-3-13-10(12)8-9-4-6-11(2)7-5-9/h8H,3-7H2,1-2H3
InChI Key:	VCFGXLWRLVJHKK-UHFFFAOYSA-N
References:	Tsukamoto, S. et al. Chem Pharm. Bull., 43, 1523 (1995); Tsukamoto, S. et al. Chem Pharm. Bull., 43, 842 (1995).

Complexity:	201
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	183.125928785
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	183.125928785
Rotatable Bond Count:	3
Topological Polar Surface Area:	29.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9