4-piperidine acetic acid methyl ester - CAS 168986-49-0

Catalog:	BB012512
Product Name:	4-piperidine acetic acid methyl ester
CAS:	168986-49-0
Synonyms:	2-(4-piperidinyl)acetic acid methyl ester; methyl 2-piperidin-4-ylacetate

Technical Data

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Computed Properties

IUPAC Name:	methyl 2-piperidin-4-ylacetate
Description:	4-piperidine acetic acid methyl ester (CAS# 168986-49-0) is a useful research chemical.
Molecular Weight:	157.21
Molecular Formula:	C8H15NO2
Canonical SMILES:	COC(=O)CC1CCNCC1
InChI:	InChI=1S/C8H15NO2/c1-11-8(10)6-7-2-4-9-5-3-7/h7,9H,2-6H2,1H3
InChI Key:	VOUIHMBRJVKANW-UHFFFAOYSA-N
Boiling Point:	269.9 °C at 760 mmHg
Purity:	95 %
Density:	0.982 g/cm³
Appearance:	Yellow to off-white solid
LogP:	0.87790

Publication Number	Title	Priority Date
WO-2021127561-A1	Isoindolinone and indazole compounds for the degradation of egfr	20191220
WO-2021127586-A1	Protein tyrosine phosphatase degraders and methods of use thereof	20191220
WO-2021105115-A1	Substituted aminoquinolones as dgkalpha inhibitors for immune activation	20191128
WO-2021076617-A1	Broad spectrum anti-cancer compounds	20191014
WO-2021071812-A1	Arylmethylene heterocyclic compounds as kv1.3 potassium shaker channel blockers	20191007

PMID	Publication Date	Title	Journal
21324368	20110601	Effect of radiolabeled metabolite elimination from the brain on the accuracy of cerebral enzyme activity estimation using positron emission tomography with substrate tracers	NeuroImage
20401964	20100401	Use of a novel radiometric method to assess the inhibitory effect of donepezil on acetylcholinesterase activity in minimally diluted tissue samples	British journal of pharmacology
15920507	20051201	Estimation of plasma IC50 of donepezil hydrochloride for brain acetylcholinesterase inhibition in monkey using N-[11C]methylpiperidin-4-yl acetate ([11C]MP4A) and PET	Neuropsychopharmacology : official publication of the American College of Neuropsychopharmacology
15801847	20050407	N-[18F] fluoroethylpiperidin-4ylmethyl acetate, a novel lipophilic acetylcholine analogue for PET measurement of brain acetylcholinesterase activity	Journal of medicinal chemistry
11702050	20011101	Kinetic analysis of [(11)C]MP4A using a high-radioactivity brain region that represents an integrated input function for measurement of cerebral acetylcholinesterase activity without arterial blood sampling	Journal of cerebral blood flow and metabolism : official journal of the International Society of Cerebral Blood Flow and Metabolism

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GHS Hazard Statement:	H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]; H318 (97.44%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement:	P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501
Signal Word:	Danger

Complexity:	130
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:	3
Topological Polar Surface Area:	38.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4