Purity | Size | Price | VIP Price | USA Stock *0-1 Day | Global Stock *5-7 Days | Quantity | |||||
{[ item.p_purity ]} | {[ item.pr_size ]} |
{[ getRatePrice(item.pr_usd, 1,1) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} |
{[ getRatePrice(item.pr_usd, 1,1) ]} | {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} {[ getRatePrice(item.pr_usd,1,item.mem_rate) ]} | {[ item.pr_usastock ]} | Inquiry - | {[ item.pr_chinastock ]} | Inquiry - |
* Storage: {[proInfo.prStorage]}
CAS No. : | 118753-66-5 | MDL No. : | MFCD08274502 |
Formula : | C9H19N3O2 | Boiling Point : | 281°C at 760 mmHg |
Linear Structure Formula : | - | InChI Key : | - |
M.W : | 201.27 g/mol | Pubchem ID : | 22029174 |
Synonyms : |
|
Num. heavy atoms : | 14 |
Num. arom. heavy atoms : | 0 |
Fraction Csp3 : | 0.89 |
Num. rotatable bonds : | 3 |
Num. H-bond acceptors : | 4.0 |
Num. H-bond donors : | 1.0 |
Molar Refractivity : | 61.3 |
TPSA : | 58.8 Ų |
GI absorption : | High |
BBB permeant : | No |
P-gp substrate : | No |
CYP1A2 inhibitor : | No |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -7.4 cm/s |
Log Po/w (iLOGP) : | 2.15 |
Log Po/w (XLOGP3) : | 0.18 |
Log Po/w (WLOGP) : | -0.35 |
Log Po/w (MLOGP) : | 0.54 |
Log Po/w (SILICOS-IT) : | -0.75 |
Consensus Log Po/w : | 0.35 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -1.0 |
Solubility : | 20.0 mg/ml ; 0.0993 mol/l |
Class : | Very soluble |
Log S (Ali) : | -0.97 |
Solubility : | 21.4 mg/ml ; 0.106 mol/l |
Class : | Very soluble |
Log S (SILICOS-IT) : | -0.21 |
Solubility : | 125.0 mg/ml ; 0.619 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 1.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 2.57 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H302-H319 | Packing Group: | N/A |
GHS Pictogram: |
![]() |
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
100% | Stage #1: With acetic acid; zinc In methanol at 0 - 20℃; for 2 h; Stage #2: With sodium hydrogencarbonate In methanol; water |
To a solution of the compound obtained in the above step (1) (730 mg) in methanol (10 mL) was added zinc powder (1.1 g) at room temperature and thereto was added dropwise acetic acid (10 mL) under ice-cooling and the mixture was stirred at room temperature for 2 hours. The reaction mixture was filtered and to the filtrate was added an aqueous sodium hydrogencarbonate solution to basify. After stirring, the mixture was extracted with chloroform. The organic layer was dried over sodium sulfate and filtered. The filtrate was concentrated in vacuo to obtain l-amino-4-tert- butoxycarbonylpiperazine (730 mg, yield: 100 percent) as a pale yellow oil. |
58% | With lithium aluminium tetrahydride In tetrahydrofuran at 0 - 25℃; for 12 h; | To a solution of 1 ,1 -dimethylethyl 4-nitroso-1 -piperazinecarboxylate (500 mg, 2.33 mmol) in THF (23 mL) at O0C was added dropwise a solution of LAH (5.8 mL, 5.8 mmol, 1 M in THF). The reaction mixture warmed to 25°C over 12h and was subsequently quenched by dropwise addition of a saturated solution of potassium sodium tartrate. The aqueous phase was extracted several times with DCM and the combined organic fractions were dried (Na2SO4) and concentrated at 250C yielding a yellow oil that was used without further purification (270 mg, 58percent): LCMS (ES) m/e 202 (M+H)+. |
[ 64268-81-1 ]
Ethyl 4-aminopiperazine-1-carboxylate
Similarity: 0.89
[ 84442-57-9 ]
Ethyl 4-aminopiperazine-1-carboxylate hydrochloride
Similarity: 0.88
[ 1338673-52-1 ]
tert-Butyl 4-(2-hydrazinyl-2-oxoethyl)piperazine-1-carboxylate
Similarity: 0.83
[ 1235407-01-8 ]
tert-Butyl 3-hydrazinylazetidine-1-carboxylate
Similarity: 0.83
[ 1998216-27-5 ]
tert-Butyl 3-hydrazinylazetidine-1-carboxylate hydrochloride
Similarity: 0.81
[ 64268-81-1 ]
Ethyl 4-aminopiperazine-1-carboxylate
Similarity: 0.89
[ 84442-57-9 ]
Ethyl 4-aminopiperazine-1-carboxylate hydrochloride
Similarity: 0.88
[ 192130-34-0 ]
tert-Butyl 4-(2-aminoethyl)piperazine-1-carboxylate
Similarity: 0.87
[ 539822-98-5 ]
tert-Butyl 4-(2-(methylamino)ethyl)piperazine-1-carboxylate
Similarity: 0.87
[ 120131-72-8 ]
tert-Butyl (2-aminoethyl)(2-((tert-butoxycarbonyl)amino)ethyl)carbamate
Similarity: 0.85
[ 64268-81-1 ]
Ethyl 4-aminopiperazine-1-carboxylate
Similarity: 0.89
[ 84442-57-9 ]
Ethyl 4-aminopiperazine-1-carboxylate hydrochloride
Similarity: 0.88
[ 219509-79-2 ]
1-tert-Butyl 4-methyl piperazine-1,4-dicarboxylate
Similarity: 0.87
[ 76535-75-6 ]
Di-tert-butyl piperazine-1,4-dicarboxylate
Similarity: 0.87
[ 53788-49-1 ]
tert-Butyl 4-methylpiperazine-1-carboxylate
Similarity: 0.87
[ 64268-81-1 ]
Ethyl 4-aminopiperazine-1-carboxylate
Similarity: 0.89
[ 84442-57-9 ]
Ethyl 4-aminopiperazine-1-carboxylate hydrochloride
Similarity: 0.88
[ 219509-79-2 ]
1-tert-Butyl 4-methyl piperazine-1,4-dicarboxylate
Similarity: 0.87
[ 76535-75-6 ]
Di-tert-butyl piperazine-1,4-dicarboxylate
Similarity: 0.87
[ 53788-49-1 ]
tert-Butyl 4-methylpiperazine-1-carboxylate
Similarity: 0.87