chempirical

N-Benzyloxycarbonyl-4-bromomethylpiperidine

C14H18BrNO2CAS 159275-17-9312.21 g/mol

Open in Covalent MOL file
OONBr
Alkyl halideCarbamate

Properties

Molecular formula
C14H18BrNO2
Molar mass
312.21 g/mol
Exact mass
311.0521 Da
logP
3.43Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
159275-17-9
SMILES
O=C(OCc1ccccc1)N1CCC(CBr)CC1
InChIKey
XJHKDSZGAWXUTB-UHFFFAOYSA-N
InChI
InChI=1S/C14H18BrNO2/c15-10-12-6-8-16(9-7-12)14(17)18-11-13-4-2-1-3-5-13/h1-5,12H,6-11H2

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Names and synonyms

5 names
  • 1-Piperidinecarboxylic acid, 4-(bromomethyl)-, phenylmethyl ester
  • 4-Bromomethylpiperidine-1-carboxylic acid benzyl ester
  • 1-Benzyloxycarbonyl-4-bromomethylpiperidine
  • Benzyl 4-(bromomethyl)piperidine-1-carboxylate
  • Phenylmethyl 4-(bromomethyl)-1-piperidinecarboxylate

Work with N-Benzyloxycarbonyl-4-bromomethylpiperidine

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

Benzyl 4-(hydroxymethyl)piperidine-1-carboxylate122860-33-771 % similar 4-Amino-piperidine-1-carboxylic acid benzyl ester120278-07-167 % similar N-(Benzyloxycarbonyl)-4-hydroxypiperidine95798-23-567 % similar 4-Formylpiperidine-1-carboxylic acid benzyl ester138163-08-365 % similar (S)-1-Cbz-3-hydroxymethylpyrrolidine124391-76-064 % similar 1-Carbobenzoxy-4-piperidinecarboxylic Acid10314-98-462 % similar Benzyl 4-(chloroformyl)-1-piperidinecarboxylic acid10314-99-562 % similar (S)-1-Cbz-3-aminopyrrolidine122536-72-560 % similar

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

Same formula

1,1-Dimethylethyl 6-bromo-3,4-dihydro-2(1H)-isoquinolinecarboxylate893566-74-0

Elsewhere

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