chempirical

(S)-3-Aminomethyl-1-piperidinecarboxylic acid tert-butyl ester

C11H22N2O2CAS 140645-24-5214.31 g/mol

Open in Covalent MOL file
OONH2N
CarbamatePrimary amine

Properties

Molecular formula
C11H22N2O2
Molar mass
214.31 g/mol
Exact mass
214.1681 Da
logP
1.59Crippen estimate
Polar surface area
55.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
140645-24-5
SMILES
CC(C)(C)OC(=O)N1CCC[C@@H](CN)C1
InChIKey
WPWXYQIMXTUMJB-VIFPVBQESA-N
InChI
InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-6-4-5-9(7-12)8-13/h9H,4-8,12H2,1-3H3/t9-/m0/s1

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

Names and synonyms

8 names
  • 1-Piperidinecarboxylic acid, 3-(aminomethyl)-, 1,1-dimethylethyl ester, (3S)-
  • 1-Piperidinecarboxylic acid, 3-(aminomethyl)-, 1,1-dimethylethyl ester, (S)-
  • tert-Butyl (3S)-3-(aminomethyl)piperidine-1-carboxylate
  • 1,1-Dimethylethyl (3S)-3-(aminomethyl)-1-piperidinecarboxylate
  • (S)-tert-Butyl 3-(aminomethyl)piperidine-1-carboxylate
  • tert-Butyl (S)-3-(aminomethyl)piperidine-1-carboxylate
  • (S)-1-tert-Butoxycarbonyl-3-(aminomethyl)piperidine
  • (S)-1-Boc-3-(Aminomethyl)piperidine

Work with (S)-3-Aminomethyl-1-piperidinecarboxylic acid tert-butyl 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

N-Boc-piperidine-3-methanol116574-71-171 % similar (S)-tert-Butyl 3-aminopiperidine-1-carboxylate625471-18-366 % similar 1,1-Dimethylethyl 3-(2-aminoethyl)-1-azetidinecarboxylate898271-20-061 % similar 1-Boc-piperidine-3-carboxaldehyde118156-93-760 % similar 1-(1,1-Dimethylethyl) (3R)-1,3-piperidinedicarboxylate163438-09-359 % similar tert-Butyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate114214-69-658 % similar (S)-1-N-Boc-2-(aminomethyl)pyrrolidine119020-01-858 % similar (R)-tert-Butyl 3-aminopyrrolidine-1-carboxylate147081-49-057 % similar

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

Same formula

4-N-Boc-4-N-methyl-aminopiperidine108612-54-0 4-(Boc-aminomethyl)piperidine135632-53-0 1,1-Dimethylethyl N-[(2S)-2-piperidinylmethyl]carbamate139004-93-6 1,1-Dimethylethyl N-[(2R)-2-piperidinylmethyl]carbamate139004-96-9 tert-Butyl (3R)-3-(aminomethyl)piperidine-1-carboxylate140645-23-4 tert-Butyl N-((piperidin-2-yl)methyl)carbamate141774-61-0 3-N-Boc-aminomethylpiperidine142643-29-6 1-Boc-4-(aminomethyl)piperidine144222-22-0

Elsewhere

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