Ethyl 3-Piperidylacetate Hydrochloride - CAS 16780-05-5
Catalog: |
BB012423 |
Product Name: |
Ethyl 3-Piperidylacetate Hydrochloride |
CAS: |
16780-05-5 |
Synonyms: |
2-(3-piperidinyl)acetic acid ethyl ester;hydrochloride; ethyl 2-piperidin-3-ylacetate;hydrochloride |
IUPAC Name: | ethyl 2-piperidin-3-ylacetate;hydrochloride |
Description: | Ethyl 3-Piperidylacetate Hydrochloride (CAS# 16780-05-5) is a useful research chemical. |
Molecular Weight: | 207.70 |
Molecular Formula: | C9H18ClNO2 |
Canonical SMILES: | CCOC(=O)CC1CCCNC1.Cl |
InChI: | InChI=1S/C9H17NO2.ClH/c1-2-12-9(11)6-8-4-3-5-10-7-8;/h8,10H,2-7H2,1H3;1H |
InChI Key: | NUFQPPPCFKZWRT-UHFFFAOYSA-N |
LogP: | 2.07000 |
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 |
Publication Number | Title | Priority Date |
EP-2877185-A1 | Atx modulating agents | 20120727 |
EP-2877185-B1 | 2-(1-(1-(6-((cyclohexyl)oxy)-5-(trifluoromethyl)naphthalen-2-yl)ethyl)piperidin-3-yl)acetic acid derivatives as autotaxin (atx) modulators for the treatment of inflammations and autoimmune disorders | 20120727 |
US-2015246063-A1 | Atx modulating agents | 20120727 |
US-9555050-B2 | ATX modulating agents | 20120727 |
WO-2014018887-A1 | Atx modulating agents | 20120727 |
Complexity: | 148 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.1026065 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.1026065 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 38.3 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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