chempirical

Phenylmethyl 3-(aminomethyl)-1-piperidinecarboxylate

C14H20N2O2CAS 315717-76-1248.33 g/mol

Open in Covalent MOL file
NH2NOO
CarbamatePrimary amine

Properties

Molecular formula
C14H20N2O2
Molar mass
248.33 g/mol
Exact mass
248.1525 Da
logP
1.99Crippen estimate
Polar surface area
55.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Identifiers

CAS number
315717-76-1
SMILES
NCC1CCCN(C(=O)OCc2ccccc2)C1
InChIKey
PAIJQGYSIGOWOF-UHFFFAOYSA-N
InChI
InChI=1S/C14H20N2O2/c15-9-13-7-4-8-16(10-13)14(17)18-11-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11,15H2

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Names and synonyms

5 names
  • 1-Piperidinecarboxylic acid, 3-(aminomethyl)-, phenylmethyl ester
  • Benzyl 3-(aminomethyl)piperidine-1-carboxylate
  • 1-Cbz-3-(Aminomethyl)piperidine
  • 1-Cbz-3-aminomethylpiperidine
  • 3-Aminomethyl-1-N-Cbz-piperidine

Work with Phenylmethyl 3-(aminomethyl)-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Phenylmethyl 3-(hydroxymethyl)-1-piperidinecarboxylate39945-51-274 % similar (R)-3-Amino-1-N-cbz-piperidine1044560-96-470 % similar Phenylmethyl 3-amino-1-piperidinecarboxylate711002-74-370 % similar (S)-2-(Aminomethyl)-1-cbz-pyrrolidine119020-03-063 % similar (S)-1-Cbz-3-hydroxymethylpyrrolidine124391-76-063 % similar (S)-1-Cbz-3-aminopyrrolidine122536-72-562 % similar Phenylmethyl (3R)-3-amino-1-pyrrolidinecarboxylate122536-73-662 % similar Phenylmethyl 3-amino-1-pyrrolidinecarboxylate185057-50-562 % similar

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

Same formula

Benzyl (5r)-5-methyl-1,4-diazepane-1-carboxylate1001401-60-0 Pindolol13523-86-9 1-N-Cbz-trans-1,4-cyclohexyldiamine149423-77-8 tert-Butyl 7-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate171049-41-5

Elsewhere

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