Ethyl 2-(piperidin-4-yl)acetate

HCID 2760465

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Basic information

CAS: 59184-90-6
Standard SMILES: CCOC(=O)CC1CCNCC1
InChIKey: IHSUFLCKRIHFGY-UHFFFAOYSA-N
Molecular formula: C9H17NO2
Average molar mass: 171.24 g/mol
Monoisotopic mass: 171.12592878

Names & identifiers

Preferred name: Ethyl 2-(piperidin-4-yl)acetate
IUPAC: ethyl 2-piperidin-4-ylacetate
English name: 2-(Piperidin-4-yl)-acetic acid ethyl ester
Molecular formula: C9H17NO2
Molecular weight: 171.24

Names & synonyms

ethyl 2-(piperidin-4-yl)acetateRefChem:594044673-023-259184-90-62-(piperidin-4-yl)-acetic acid ethyl esterethyl piperidin-4-ylacetateethyl 2-piperidin-4-ylacetateMFCD021835754-Piperidineacetic acid, ethyl esterethyl 4-piperidineacetateEthyl 2-(4-piperidyl)acetateethyl 2-(4-piperidinyl)acetate

Show more names

methyl 2-(4-piperidyl)acetate4-piperidine Acetate Ethyl Ester2-piperidine Acetate Ethyl Estermethyl 2-piperidin-4-ylethanoatePIPERIDINE-4-YL-ACETIC ETHYL ESTER4-PIPERADINEACETIC ACID ETHYL ESTER

Ethyl 4-piperidinylacetateEthyl (piperidin-4-yl)acetateethyl 4-piperidine acetate4-(ethoxycarbonylmethyl)piperidine4-piperidineacetic acid ethyl esterCS-W002927EN300-304594-piperidine acetic acid ethyl ester

Database identifiers

CAS: 59184-90-6
PubChem CID: 2760465
DTXSID: DTXSID90375173
EC Number: 673-023-2
Nikkaji: J935.588J

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 38.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 12
Formal charge: 0
Complexity: 141

Physicochemical properties

Melting point: 192 °C · 192 °C (decomp)
Boiling point: 67 °C/0.22mm · 67°C/0.22mm
Density: 0.969 · 0.969±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
form: liquid
pka: 10.41 · 10.41±0.10(Predicted)
CAS DataBase Reference: 59184 · 59184-90-6(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P271-P280
Hazard Codes: Xi
HazardClass: IRRITANT
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code: 2933399990
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_class: IRRITANT
Hazard statements: H315-H319-H335
Precautionary statements: P261-P271-P280

Chemistry & industry

Applications · 1 item

UsesPiperidine derivatives have significant research value in the pharmaceutical field as drug intermediates. 4-Piperidine acetate methyl ester is also an important piperidine derivative drug intermediate, mainly used in the synthesis of drugs for various neurological diseases, such as convulsions, anti-epileptic drugs, and sedatives.