Ethyl 1-piperidineacetate - CAS 23853-10-3

Catalog:	BB018206
Product Name:	Ethyl 1-piperidineacetate
CAS:	23853-10-3
Synonyms:	ethyl 2-piperidin-1-ylacetate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	ethyl 2-piperidin-1-ylacetate
Description:	Ethyl 1-piperidineacetate (CAS# 23853-10-3) is a useful research chemical.
Molecular Weight:	171.24
Molecular Formula:	C9H17NO2
Canonical SMILES:	CCOC(=O)CN1CCCCC1
InChI:	InChI=1S/C9H17NO2/c1-2-12-9(11)8-10-6-4-3-5-7-10/h2-8H2,1H3
InChI Key:	LXZHLNWWDDNIOJ-UHFFFAOYSA-N
Boiling Point:	226 °C at 760 mmHg
Purity:	95 %
Density:	0.984 g/mL at 25 °C (lit.)
Appearance:	Colorless to yellow liquid
MDL:	MFCD00134496
LogP:	0.97330

Publication Number	Title	Priority Date
WO-2017088738-A1	Modified compound of andrographolide	20151126
EP-3303298-A1	Indazole derivatives as modulators of tnf activity	20150608
EP-3303318-A1	Benzoxazinone derivatives and analogues thereof as modulators of tnf activity	20150608
EP-3303337-A1	Fused tricyclic imidazo pyrazines as modulators of tnf activity	20150608
EP-3303337-B1	Fused tricyclic imidazo pyrazines as modulators of tnf activity	20150608

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Related Functional Groups

Piperidines

[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[874800-64-3]
1-(4-Chloro-2-nitrophenyl)piperidine-4-carboxylic acid
[2091301-46-9]
Tert-butyl 5-hydroxy-3,3-dimethylpiperidine-1-carboxylate
[349625-89-4]
Ethyl 1-(methylsulfonyl)piperidine-3-carboxylate
[217487-18-8]
Ethyl 1-(methylsulfonyl)piperidine-4-carboxylate
[625106-78-7]
Ethyl 1-[(3-nitrophenyl)sulfonyl]piperidine-4-carboxylate

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	142
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	171.125928785
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	171.125928785
Rotatable Bond Count:	4
Topological Polar Surface Area:	29.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5