chempirical

4-Formylpiperidine-1-carboxylic acid benzyl ester

C14H17NO3CAS 138163-08-3247.29 g/mol

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ONOO
AldehydeCarbamate

Properties

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

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

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Names and synonyms

8 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

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

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 N-Benzyloxycarbonyl-4-bromomethylpiperidine159275-17-965 % similar 1-Carbobenzoxy-4-piperidinecarboxylic Acid10314-98-464 % similar Benzyl 4-(chloroformyl)-1-piperidinecarboxylic acid10314-99-564 % similar (R)-(-)-1-CBZ-3-pyrrolidinol100858-33-161 % similar (S)-1-Cbz-3-aminopyrrolidine122536-72-561 % 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

Elsewhere

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