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 |
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 |
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 |
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 |
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 |
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