Ethyl 2-(piperidin-4-yl)acetate

C₉H₁₇NO₂CAS 59184-90-6171.24 g/mol

Open in Covalent MOL file

Ester Secondary amine

Properties

Molecular formula: C₉H₁₇NO₂
Molar mass: 171.24 g/mol
Exact mass: 171.1259 Da
logP: 0.94Crippen estimate
Polar surface area: 38.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation97.5% of notifiers
H319 Causes serious eye irritation97.5% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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, P501

Identifiers

CAS number

59184-90-6

SMILES

CCOC(=O)CC1CCNCC1

InChIKey

IHSUFLCKRIHFGY-UHFFFAOYSA-N

InChI

InChI=1S/C9H17NO2/c1-2-12-9(11)7-8-3-5-10-6-4-8/h8,10H,2-7H2,1H3

Weigh it out

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

Names and synonyms

1 names

2-(Piperidin-4-yl)-acetic acid ethyl ester

Work with Ethyl 2-(piperidin-4-yl)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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ethyl tetrahydropyran-4-ylacetate103260-44-268 % similar Ethyl 2-(4-oxocyclohexyl)acetate58012-34-366 % similar Methyl 4-piperidineacetate168986-49-061 % similar (trans-4-Aminocyclohexyl)acetic acid ethyl ester hydrochloride76308-26-458 % similar Piperidin-4-yl-acetic acid methyl ester hydrochloride81270-37-356 % similar Ethyl isovalerate108-64-555 % similar Ethyl isonipecotate1126-09-655 % similar Diethyl iminodiacetate6290-05-753 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

trans-4-Aminocyclohexane carboxylic acid ethyl ester1678-68-8 Ethyl N-piperidinylacetate23853-10-3 Ethyl 1-methylpiperidine-4-carboxylate24252-37-7 (Diethylamino)ethyl acrylate2426-54-2 (3R,4R)-4-Isobutylpyrrolidine-3-carboxylic acid261896-39-3 (3S,4S)-4-(2-Methylpropyl)-3-pyrrolidinecarboxylic acid261896-40-6 L-Cyclohexylalanine27527-05-5 L-Proline 1,1-dimethylethyl ester2812-46-6

Elsewhere

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