1-Boc-piperazine acetate

C11H22N2O4CAS 143238-38-4246.31 g/mol

Open in Covalent MOL file
OOHOONNH
CarbamateCarboxylic acidSecondary amine

Properties

Molecular formula
C11H22N2O4
Molar mass
246.31 g/mol
Exact mass
246.1580 Da
logP
0.92Crippen estimate
Polar surface area
78.9 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 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
143238-38-4
SMILES
CC(=O)O.CC(C)(C)OC(=O)N1CCNCC1
InChIKey
VRYAIUMHCRSUDX-UHFFFAOYSA-N
InChI
InChI=1S/C9H18N2O2.C2H4O2/c1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-2(3)4/h10H,4-7H2,1-3H3;1H3,(H,3,4)

Weigh it out

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

Work with 1-Boc-piperazine acetate

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.

Acetic acid64-19-7Free acid (2H3)Acetic (2H)acid1186-52-3Free acid, labelled tert-Butyl piperazine-1-carboxylate57260-71-6Free base Potassium acetate127-08-2Salt Aluminium diacetate142-03-0Salt Calcium acetate62-54-4Salt Copper(II) acetate142-71-2Salt Mercury(II) acetate1600-27-7Salt Lead(II) acetate301-04-2Salt Aluminium triacetate139-12-8Salt 4-Aminophenylmercuric acetate6283-24-5Salt Basic lead acetate1335-32-6Salt

Similar compounds

tert-Butyl 1,4-diazepane-1-carboxylate112275-50-068 % similar tert-Butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate173405-78-259 % similar 1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-954 % similar N-Boc-diethanolamine103898-11-954 % similar 1-Boc-4-methylpiperazine53788-49-154 % similar 4-Boc-1-piperazineacetic acid156478-71-653 % similar 5-Oxo-(1,4)diazepane-1-carboxylic acid tert-butyl ester190900-21-153 % similar 1,1-Dimethylethyl 1-piperidinecarboxylate75844-69-853 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Boc-D-lys-oh106719-44-2 Epsilon-tert-Butyloxycarbonyl-lysine13734-28-6 N-Epsilon-boc-D-lysine31202-69-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook