chempirical

Benzyl 4-(chloroformyl)-1-piperidinecarboxylic acid

C14H16ClNO3CAS 10314-99-5281.74 g/mol

Open in Covalent MOL file
OClNOO
Acyl halideCarbamate

Properties

Molecular formula
C14H16ClNO3
Molar mass
281.74 g/mol
Exact mass
281.0819 Da
logP
2.80Crippen estimate
Polar surface area
46.6 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Identifiers

CAS number
10314-99-5
SMILES
O=C(Cl)C1CCN(C(=O)OCc2ccccc2)CC1
InChIKey
KUBUQFFBRSHOMJ-UHFFFAOYSA-N
InChI
InChI=1S/C14H16ClNO3/c15-13(17)12-6-8-16(9-7-12)14(18)19-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2

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Names and synonyms

8 names
  • 1-Piperidinecarboxylic acid, 4-(chlorocarbonyl)-, phenylmethyl ester
  • 1-Piperidinecarboxylic acid, 4-(chloroformyl)-, benzyl ester
  • 1-(Benzyloxycarbonyl)-4-piperidinecarbonyl chloride
  • N-(Benzyloxycarbonyl)piperidine-4-carbonyl chloride
  • Phenylmethyl 4-(chlorocarbonyl)-1-piperidinecarboxylate
  • Benzyl 4-(chlorocarbonyl)piperidine-1-carboxylate
  • 4-Chlorocarbonyl-piperidine-1-carboxylic acid benzyl ester
  • N-Cbz-4-piperidinecarbonyl chloride

Work with Benzyl 4-(chloroformyl)-1-piperidinecarboxylic acid

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

1-Carbobenzoxy-4-piperidinecarboxylic Acid10314-98-468 % similar 4-Amino-piperidine-1-carboxylic acid benzyl ester120278-07-165 % similar N-(Benzyloxycarbonyl)-4-hydroxypiperidine95798-23-565 % similar 4-Formylpiperidine-1-carboxylic acid benzyl ester138163-08-364 % similar Benzyl 4-(hydroxymethyl)piperidine-1-carboxylate122860-33-762 % similar N-Benzyloxycarbonyl-4-bromomethylpiperidine159275-17-962 % similar (S)-1-Cbz-3-aminopyrrolidine122536-72-559 % similar Phenylmethyl (3R)-3-amino-1-pyrrolidinecarboxylate122536-73-659 % similar

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

Elsewhere

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