tert-Butyl piperazine-1-carboxylate

C₉H₁₈N₂O₂CAS 57260-71-6186.25 g/mol

Open in Covalent MOL file

Carbamate Secondary amine

Properties

Molecular formula: C₉H₁₈N₂O₂
Molar mass: 186.25 g/mol
Exact mass: 186.1368 Da
Melting point: 70 °C
logP: 0.83Crippen estimate
Polar surface area: 41.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation76.1% of notifiers
H319 Causes serious eye irritation73.2% of notifiers
H335 May cause respiratory irritation74.6% of notifiers

Aggregated from 71 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

57260-71-6

SMILES

CC(C)(C)OC(=O)N1CCNCC1

InChIKey

CWXPZXBSDSIRCS-UHFFFAOYSA-N

InChI

InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-6-4-10-5-7-11/h10H,4-7H2,1-3H3

Weigh it out

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

Names and synonyms

17 names · show all

N-Boc-piperazine
1-Piperazinecarboxylic acid, 1,1-dimethylethyl ester
1-(tert-Butoxycarbonyl)piperazine
N-(tert-Butoxycarbonyl)piperazine
tert-Butyl 1-piperazinecarboxylate
1-[(1,1-Dimethylethoxy)carbonyl]piperazine
1,1-Dimethylethyl 1-piperazinecarboxylate
1-(tert-Butyloxycarbonyl)piperazine
1-Piperazinecarboxylic acid tert-butyl ester
N-tert-Butyloxycarbonylpiperazine
4-(tert-Butyloxycarbonyl)piperazine
1,1-Dimethylethyl piperazin-1-carboxylate
tert-Butoxy piperazine-1-carboxylate
Mono-tert-butoxycarbonylpiperazine
tert-Butyl piperazin-1-carboxylate
N-tert-Butoxycarbonylpiperazine
CD 3-3022

Work with tert-Butyl 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

1-Boc-piperazine acetate143238-38-4Salt

Similar compounds

tert-Butyl 1,4-diazepane-1-carboxylate112275-50-087 % similar tert-Butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate173405-78-273 % similar 1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-969 % similar 1-Boc-4-methylpiperazine53788-49-168 % similar 1,1-Dimethylethyl 1-piperidinecarboxylate75844-69-867 % similar 5-Oxo-(1,4)diazepane-1-carboxylic acid tert-butyl ester190900-21-166 % similar 2-(tert-Butoxycarbonyl)-2,7-diazaspiro[3.5]nonane236406-55-665 % similar tert-Butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate896464-16-765 % similar

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

Same formula

(S)-3-(Boc-amino)pyrrolidine122536-76-9 (3R)-(+)-3-(tert-Butoxycarbonylamino)pyrrolidine122536-77-0 (S)-(-)-1-tert-Butoxycarbonyl-3-aminopyrrolidine147081-44-5 (R)-tert-Butyl 3-aminopyrrolidine-1-carboxylate147081-49-0 tert-Butyl 3-aminopyrrolidine-1-carboxylate186550-13-0 1-Boc-3-(aminomethyl)azetidine325775-44-8 1-Boc-3-methylaminoazetidine454703-20-9 Dimorpholinomethane5625-90-1

Elsewhere

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