Ethyl piperazine-1-acetate

C₈H₁₆N₂O₂CAS 40004-08-8172.23 g/mol

Open in Covalent MOL file

Ester Secondary amine Tertiary amine

Properties

Molecular formula: C₈H₁₆N₂O₂
Molar mass: 172.23 g/mol
Exact mass: 172.1212 Da
Boiling point: 153–159 °C
logP: -0.55Crippen estimate
Polar surface area: 41.6 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation88.6% of notifiers
H319 Causes serious eye irritation88.6% of notifiers
H335 May cause respiratory irritation88.6% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

40004-08-8

SMILES

CCOC(=O)CN1CCNCC1

InChIKey

MTFCXMJOGMHYAE-UHFFFAOYSA-N

InChI

InChI=1S/C8H16N2O2/c1-2-12-8(11)7-10-5-3-9-4-6-10/h9H,2-7H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names

1-(Ethoxycarbonylmethyl)piperazine
2-(Piperazin-1-yl)acetic acid ethyl ester
1-Piperazineacetic acid, ethyl ester
Ethyl 1-piperazinylacetate
Ethyl 1-piperazineacetate
N-(Ethoxycarbonylmethyl)piperazine
4-(Carboethoxymethyl)piperazine
N-(Carboethoxymethyl)piperazine
Piperazin-1-ylacetic acid ethyl ester
Ethyl piperazinoacetate
Ethyl 2-piperazinoacetate
Ethyl 2-(piperazin-1-yl)acetate

Work with Ethyl piperazine-1-acetate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ethyl N-piperidinylacetate23853-10-368 % similar N,N-Dimethylglycine ethyl ester33229-89-953 % similar Ethyl 1-piperazinecarboxylate120-43-453 % similar Diethyl iminodiacetate6290-05-752 % similar Ethyl 2-(piperidin-4-yl)acetate59184-90-651 % similar Ethyl 2-(dibenzylamino)acetate77385-90-149 % similar Ethyl 1-piperidinepropanoate19653-33-947 % similar Diethyl malonate105-53-347 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1-Boc-3-(amino)azetidine193269-78-2 Ethyl 4-amino-1-piperidinecarboxylate58859-46-4 3-N-Boc-amino-azetidine91188-13-5

Elsewhere

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