Benzyl 4-oxo-1-piperidinecarboxylate

C₁₃H₁₅NO₃CAS 19099-93-5233.27 g/mol

Open in Covalent MOL file

Carbamate Ketone

Properties

Molecular formula: C₁₃H₁₅NO₃
Molar mass: 233.27 g/mol
Exact mass: 233.1052 Da
Melting point: 37–38 °C
Boiling point: 125–131 °C
logP: 1.99Crippen estimate
Polar surface area: 46.6 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed81.2% of notifiers
H315 Causes skin irritation18.8% of notifiers
H319 Causes serious eye irritation18.8% of notifiers
H335 May cause respiratory irritation16.7% of notifiers
H412 Harmful to aquatic life with long lasting effects81.2% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

19099-93-5

SMILES

O=C1CCN(C(=O)OCc2ccccc2)CC1

InChIKey

VZOVOHRDLOYBJX-UHFFFAOYSA-N

InChI

InChI=1S/C13H15NO3/c15-12-6-8-14(9-7-12)13(16)17-10-11-4-2-1-3-5-11/h1-5H,6-10H2

Weigh it out

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

Names and synonyms

17 names · show all

1-Piperidinecarboxylic acid, 4-oxo-, phenylmethyl ester
1-Piperidinecarboxylic acid, 4-oxo-, benzyl ester
N-Carbobenzyloxy-4-piperidone
N-(Carbobenzyloxy)-4-piperidinone
1-Carbobenzoxy-4-piperidone
N-(Benzyloxycarbonyl)-4-piperidone
1-Benzyloxycarbonyl-4-piperidone
1-(Benzyloxycarbonyl)-4-piperidinone
N-(Benzyloxycarbonyl)-4-oxopiperidine
4-Oxopiperidine-1-carboxylic acid benzyl ester
1-Benzyloxycarbonyl-4-oxopiperidine
(N-Benzyloxycarbonyl)piperidin-4-one
4-Oxopiperidin-1-carboxylic acid benzyl ester
1-CBZ-4-piperidone
Phenylmethyl 4-oxo-1-piperidinecarboxylate
N-Cbz-4-piperidinone
Benzyl 4-oxopiperidine-1-carboxylate

Work with Benzyl 4-oxo-1-piperidinecarboxylate

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

Benzyl 3-oxopyrrolidine-1-carboxylate130312-02-685 % similar 1-Cbz-4-methylene-piperidine138163-12-975 % similar Benzyl 3-oxopiperidine-1-carboxylate61995-20-871 % similar Benzyl piperazine-1-carboxylate31166-44-668 % similar Benzyl 1,4-diazepane-1-carboxylate117009-97-963 % similar 4-Amino-piperidine-1-carboxylic acid benzyl ester120278-07-163 % similar N-(Benzyloxycarbonyl)-4-hydroxypiperidine95798-23-563 % similar Benzyl 3-pyrroline-1-carboxylate31970-04-462 % similar

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

Same formula

(4S)-(+)-4-Benzyl-3-propionyl-2-oxazolidinone101711-78-8 (R)-(-)-4-Benzyl-3-propionyl-2-oxazolidinone131685-53-5 Mecarbinate15574-49-9 3-(Cyclopentyloxy)-4-methoxyphenyl isocyanate185300-51-0 3-Formyl-pyrrolidine-1-carboxylicacidbenzylester276872-86-7 N-Boc-5-hydroxyindole434958-85-7 Methyl 1-benzyl-5-oxo-3-pyrrolidinecarboxylate51535-00-3 1-Benzoylpiperidine-4-carboxylic acid5274-99-7

Elsewhere

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