tert-Butyl 4-(2-hydroxyethyl)piperazine-1-carboxylate

C11H22N2O3CAS 77279-24-4230.31 g/mol

Open in Covalent MOL file
OONNOH
AlcoholCarbamateTertiary amine

Properties

Molecular formula
C11H22N2O3
Molar mass
230.31 g/mol
Exact mass
230.1630 Da
logP
0.53Crippen estimate
Polar surface area
53.0 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

Hazards

Danger
Acute Toxic (GHS06)Environmental Hazard (GHS09)

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P273, P301+P316, P321, P330, P391, P405, P501

Identifiers

CAS number
77279-24-4
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)CCO
InChIKey
VRXIOAYUQIITBU-UHFFFAOYSA-N
InChI
InChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)13-6-4-12(5-7-13)8-9-14/h14H,4-9H2,1-3H3

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Work with tert-Butyl 4-(2-hydroxyethyl)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

N-Boc-diethanolamine103898-11-981 % similar 4-(2-Amino-ethyl)-piperazine-1-carboxylic acid tert-butyl ester192130-34-067 % similar 3-(4-(tert-Butoxycarbonyl)piperazin-1-yl)propanoic acid242459-97-866 % similar 1-(tert-Butoxycarbonyl)-4-(2-hydroxyethyl)piperidine89151-44-065 % similar 4-Boc-1-piperazineacetic acid156478-71-663 % similar (2-Hydroxyethyl)methylcarbamic acid 1,1-dimethylethyl ester57561-39-461 % similar 1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-961 % similar tert-Butyl 4-(3-hydroxypropyl)tetrahydro-1(2H)-pyridinecarboxylate156185-63-660 % 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 1,1-Dimethylethyl (2R,5R)-5-(hydroxymethyl)-2-methyl-1-piperazinecarboxylate1403898-64-5 tert-Butyl 4-(aminomethyl)-4-hydroxypiperidine-1-carboxylate392331-66-7

Elsewhere

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