Ethyl 2-(1-Boc-3-piperidylidene)acetate - CAS 1590372-40-9

Catalog:	BB011488
Product Name:	Ethyl 2-(1-Boc-3-piperidylidene)acetate
CAS:	1590372-40-9
Synonyms:	3-(2-ethoxy-2-oxoethylidene)-1-piperidinecarboxylic acid tert-butyl ester; tert-butyl 3-(2-ethoxy-2-oxoethylidene)piperidine-1-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl 3-(2-ethoxy-2-oxoethylidene)piperidine-1-carboxylate
Description:	Ethyl 2-(1-Boc-3-piperidylidene)acetate (CAS# 1590372-40-9 ) is a useful research chemical.
Molecular Weight:	269.34
Molecular Formula:	C14H23NO4
Canonical SMILES:	CCOC(=O)C=C1CCCN(C1)C(=O)OC(C)(C)C
InChI:	InChI=1S/C14H23NO4/c1-5-18-12(16)9-11-7-6-8-15(10-11)13(17)19-14(2,3)4/h9H,5-8,10H2,1-4H3
InChI Key:	ADHUSARVCHQJCU-UHFFFAOYSA-N

Publication Number	Title	Priority Date
US-2009156577-A1	7-amino alkylidenyl-heterocyclic quinolones and naphthyridones	20040909
US-2007225269-A1	Use of (3-(1-(3-Phenyl-Propenyl)-Piperidin-4-Yl)-2,3-Dihydro-Indol-1-Yl)-(Pyridin-4-Yl)-Methanonone Derivatives and Related Compounds as Insecticides	20031212
US-2003220341-A1	Chemokine receptor binding heterocyclic compounds with enhanced efficacy	20011221
US-2004019058-A1	Chemokine receptor binding heterocyclic compounds with enhanced efficacy	20011221
US-2006100240-A1	Chemokine receptor binding heterocyclic compounds with enhanced efficacy	20011221

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Complexity:	368
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	269.16270821
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	269.16270821
Rotatable Bond Count:	5
Topological Polar Surface Area:	55.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	1
XLogP3:	1.6