1,1-Dimethylethyl (2R,5R)-5-(hydroxymethyl)-2-methyl-1-piperazinecarboxylate

C11H22N2O3CAS 1403898-64-5230.31 g/mol

Open in Covalent MOL file
NHOHNOO
AlcoholCarbamateSecondary amine

Properties

Molecular formula
C11H22N2O3
Molar mass
230.31 g/mol
Exact mass
230.1630 Da
logP
0.58Crippen estimate
Polar surface area
61.8 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
1
Stereocentres
R, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
1403898-64-5
SMILES
C[C@@H]1CN[C@@H](CO)CN1C(=O)OC(C)(C)C
InChIKey
OCHKRKFPKUAHGF-RKDXNWHRSA-N
InChI
InChI=1S/C11H22N2O3/c1-8-5-12-9(7-14)6-13(8)10(15)16-11(2,3)4/h8-9,12,14H,5-7H2,1-4H3/t8-,9-/m1/s1

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Names and synonyms

2 names
  • 1-Piperazinecarboxylic acid, 5-(hydroxymethyl)-2-methyl-, 1,1-dimethylethyl ester, (2R,5R)-
  • (2R,5R)-tert-Butyl 5-(hydroxymethyl)-2-methylpiperazine-1-carboxylate

Work with 1,1-Dimethylethyl (2R,5R)-5-(hydroxymethyl)-2-methyl-1-piperazinecarboxylate

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

tert-Butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate309915-46-667 % similar (2S,5R)-2,5-Dimethyl-piperazine-1-carboxylic acid tert-butyl ester548762-66-967 % similar (1S,4S)-2-Boc-2,5-diazabicyclo[2.2.1]heptane113451-59-558 % similar tert-Butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate hydrochloride134003-84-258 % similar 2,5-Diaza-bicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester198989-07-058 % similar (R)-3-Hydroxymethyl-piperazine-1-carboxylic acid tert-butyl ester278788-66-257 % similar 4-N-Boc-2-hydroxymethylpiperazine301673-16-557 % similar 1,1-Dimethylethyl (3S)-3-(hydroxymethyl)-1-piperazinecarboxylate314741-40-757 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-[[(1,1-Dimethylethyl)amino]carbonyl]-3-methyl-L-valine101968-85-8 Leu-val13588-95-9 tert-Butyl 4-(aminomethyl)-4-hydroxypiperidine-1-carboxylate392331-66-7 tert-Butyl 4-(2-hydroxyethyl)piperazine-1-carboxylate77279-24-4

Elsewhere

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