chempirical

4-Aminomethyl-1-N-Cbz-piperidine

C14H20N2O2CAS 157023-34-2248.33 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
157023-34-2
SMILES
C1CN(CCC1CN)C(=O)OCC2=CC=CC=C2
InChIKey
ABJVEAFRFGTATH-UHFFFAOYSA-N
InChI
InChI=1S/C14H20N2O2/c15-10-12-6-8-16(9-7-12)14(17)18-11-13-4-2-1-3-5-13/h1-5,12H,6-11,15H2

Weigh it out

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

Names and synonyms

1 names
  • 1-Cbz-4-aminomethylpiperidine

Work with 4-Aminomethyl-1-N-Cbz-piperidine

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 N-Benzyloxycarbonyl-4-bromomethylpiperidine159275-17-971 % similar 4-Amino-piperidine-1-carboxylic acid benzyl ester120278-07-171 % 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 (S)-1-Cbz-3-aminopyrrolidine122536-72-564 % similar Phenylmethyl (3R)-3-amino-1-pyrrolidinecarboxylate122536-73-664 % 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 6-Amino-2-N-boc-1,2,3,4-tetrahydro-isoquinoline164148-92-9 tert-Butyl 7-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate171049-41-5 Phenylmethyl 3-(aminomethyl)-1-piperidinecarboxylate315717-76-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook