2-(1-Methyl-4-piperidinyl)acetic Acid - CAS 87647-06-1

Catalog:	BB038571
Product Name:	2-(1-Methyl-4-piperidinyl)acetic Acid
CAS:	87647-06-1
Synonyms:	2-(1-methyl-4-piperidinyl)acetic acid; 2-(1-methylpiperidin-4-yl)acetic acid

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Computed Properties

IUPAC Name:	2-(1-methylpiperidin-4-yl)acetic acid
Description:	2-(1-Methyl-4-piperidinyl)acetic Acid (CAS# 87647-06-1) is a useful research chemical.
Molecular Weight:	157.21
Molecular Formula:	C8H15NO2
Canonical SMILES:	CN1CCC(CC1)CC(=O)O
InChI:	InChI=1S/C8H15NO2/c1-9-4-2-7(3-5-9)6-8(10)11/h7H,2-6H2,1H3,(H,10,11)
InChI Key:	KPQGGKCBIODRRY-UHFFFAOYSA-N
MDL:	MFCD09055305
LogP:	0.74080

Publication Number	Title	Priority Date
WO-2021211741-A1	Substituted pyridines for the treatment of inflammatory diseases	20200414
US-2021230112-A1	Nanomaterials	20200109
US-2021169804-A1	Nanomaterials	20191206
WO-2021113365-A1	Nanomaterials	20191206
US-2020085961-A1	Oral Formulations of Kappa Opioid Receptor Agonists	20180914

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

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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, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	139
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	157.110278721
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	157.110278721
Rotatable Bond Count:	2
Topological Polar Surface Area:	40.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.8