chempirical

tert-Butyl 2-(hydroxymethyl)piperazine-1-carboxylate

C10H20N2O3CAS 205434-75-9216.28 g/mol

Open in Covalent MOL file
OONNHHO
AlcoholCarbamateSecondary amine

Properties

Molecular formula
C10H20N2O3
Molar mass
216.28 g/mol
Exact mass
216.1474 Da
logP
0.19Crippen estimate
Polar surface area
61.8 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
1

Identifiers

CAS number
205434-75-9
SMILES
CC(C)(C)OC(=O)N1CCNCC1CO
InChIKey
BCPPNDHZUPIXJM-UHFFFAOYSA-N
InChI
InChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12-5-4-11-6-8(12)7-13/h8,11,13H,4-7H2,1-3H3

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Names and synonyms

1 names
  • 1-N-Boc-2-(hydroxymethyl)piperazine

Work with tert-Butyl 2-(hydroxymethyl)piperazine-1-carboxylate

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

1,1-Dimethylethyl (2R)-2-ethyl-1-piperazinecarboxylate393781-70-973 % similar 1,1-Dimethylethyl (2S)-2-(2-methylpropyl)-1-piperazinecarboxylate674792-06-470 % similar tert-Butyl 2-methylpiperazine-1-carboxylate120737-78-264 % similar 1,1-Dimethylethyl (2S)-2-methyl-1-piperazinecarboxylate169447-70-564 % similar tert-Butyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate170491-63-164 % similar 1,1-Dimethylethyl (2S)-2-(phenylmethyl)-1-piperazinecarboxylate169447-86-363 % similar 1,1-Dimethylethyl 2-(phenylmethyl)-1-piperazinecarboxylate481038-63-563 % similar 1-Boc-2-piperazinecarboxylic acid1214196-85-662 % similar

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

Same formula

tert-Butyl (3R,4R)-3-amino-4-(hydroxymethyl)pyrrolidine-1-carboxylate1207853-71-1 tert-Butyl 2-(aminomethyl)morpholine-4-carboxylate140645-53-0 1,1-Dimethylethyl (3S)-3-(hydroxymethyl)-1-piperazinecarboxylate314741-40-7 1,1-Dimethylethyl N-[(3S,5S)-5-(hydroxymethyl)-3-pyrrolidinyl]carbamate663948-85-4

Elsewhere

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