4-Formylpiperidine-1-carboxylic acid benzyl ester

C₁₄H₁₇NO₃CAS 138163-08-3247.29 g/mol

Open in Covalent MOL file

Aldehyde Carbamate

Properties

Molecular formula: C₁₄H₁₇NO₃
Molar mass: 247.29 g/mol
Exact mass: 247.1208 Da
logP: 2.23Crippen estimate
Polar surface area: 46.6 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Hazards

Danger

H302 Harmful if swallowed88.6% of notifiers
H315 Causes skin irritation13.6% of notifiers
H318 Causes serious eye damage86.4% of notifiers
H319 Causes serious eye irritation13.6% of notifiers
H335 May cause respiratory irritation13.6% of notifiers
H412 Harmful to aquatic life with long lasting effects86.4% of notifiers

Aggregated from 44 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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

138163-08-3

SMILES

O=CC1CCN(C(=O)OCc2ccccc2)CC1

InChIKey

ZJQMLJFHCKTCSF-UHFFFAOYSA-N

InChI

InChI=1S/C14H17NO3/c16-10-12-6-8-15(9-7-12)14(17)18-11-13-4-2-1-3-5-13/h1-5,10,12H,6-9,11H2

Weigh it out

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

Names and synonyms

9 names

1-Piperidinecarboxylic acid, 4-formyl-, phenylmethyl ester
1-(Benzyloxycarbonyl)-4-piperidinecarboxaldehyde
N-(Benzyloxycarbonyl)-4-formylpiperidine
4-Formyl-N-Cbz-piperidine
Benzyl 4-formyl-1-piperidinecarboxylate
N-Benzyloxycarbonylpiperidine-4-carboxaldehyde
1-Benzyloxycarbonyl-4-formylpiperidine
Phenylmethyl 4-formyl-1-piperidinecarboxylate
Benzyl 4-formylpiperidine-1-carboxylate

Work with 4-Formylpiperidine-1-carboxylic acid benzyl ester

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

3-Formyl-pyrrolidine-1-carboxylicacidbenzylester276872-86-785 % similar 4-Amino-piperidine-1-carboxylic acid benzyl ester120278-07-168 % similar N-(Benzyloxycarbonyl)-4-hydroxypiperidine95798-23-568 % similar Benzyl 4-(hydroxymethyl)piperidine-1-carboxylate122860-33-765 % similar 4-Aminomethyl-1-N-Cbz-piperidine157023-34-265 % similar N-Benzyloxycarbonyl-4-bromomethylpiperidine159275-17-965 % similar 1-Carbobenzoxy-4-piperidinecarboxylic Acid10314-98-464 % similar Benzyl 4-(chloroformyl)-1-piperidinecarboxylic acid10314-99-564 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl 1-benzyl-4-oxopyrrolidine-3-carboxylate1027-35-6 N-Ethoxycarbonyl-2-ethoxy-1,2-dihydroquinoline16357-59-8 4-N-Cbz-cyclohexanone16801-63-1 (+)-cis-2-Benzamidocyclohexanecarboxylic acid26685-82-5 (-)-cis-2-Benzamidocyclohexanecarboxylic acid26693-55-0 N-Boc-5-methoxyindole99275-47-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook