1-(Ethoxycarbonylmethyl)piperazine

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

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

11 names

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 1-(Ethoxycarbonylmethyl)piperazine

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 1-piperidinepropanoate19653-33-947 % similar Diethyl malonate105-53-347 % similar Ethyl propionate105-37-345 % similar Diethyl glutarate818-38-245 % similar

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

Same formula

Ethyl 4-amino-1-piperidinecarboxylate58859-46-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook