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) ]} | Inquiry {[ 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. : | 236406-55-6 | MDL No. : | MFCD09834803 |
Formula : | C12H22N2O2 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | HWLNKJXLGQVMJH-UHFFFAOYSA-N |
M.W : | 226.32 | Pubchem ID : | 23282935 |
Synonyms : |
|
Num. heavy atoms : | 16 |
Num. arom. heavy atoms : | 0 |
Fraction Csp3 : | 0.92 |
Num. rotatable bonds : | 3 |
Num. H-bond acceptors : | 3.0 |
Num. H-bond donors : | 1.0 |
Molar Refractivity : | 70.55 |
TPSA : | 41.57 Ų |
GI absorption : | High |
BBB permeant : | Yes |
P-gp substrate : | Yes |
CYP1A2 inhibitor : | No |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -6.93 cm/s |
Log Po/w (iLOGP) : | 2.9 |
Log Po/w (XLOGP3) : | 1.06 |
Log Po/w (WLOGP) : | 0.85 |
Log Po/w (MLOGP) : | 1.44 |
Log Po/w (SILICOS-IT) : | 1.31 |
Consensus Log Po/w : | 1.51 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -1.71 |
Solubility : | 4.38 mg/ml ; 0.0194 mol/l |
Class : | Very soluble |
Log S (Ali) : | -1.52 |
Solubility : | 6.77 mg/ml ; 0.0299 mol/l |
Class : | Very soluble |
Log S (SILICOS-IT) : | -2.1 |
Solubility : | 1.79 mg/ml ; 0.00789 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 2.66 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H302-H315-H319-H335 | 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 |
---|---|---|
Multi-step reaction with 4 steps 1: triethylamine / dichloromethane / 1 h / 0 - 20 °C / Inert atmosphere 2: hydrogenchloride / 1,4-dioxane; methanol / 1 h / 20 °C 3: triethylamine / butan-1-ol / 1 h / 140 °C / Sealed tube; Microwave irradiation 4: trifluoroacetic acid / 16 h / 20 °C |
[ 929302-18-1 ]
tert-Butyl 2,7-diazaspiro[3.5]nonane-2-carboxylate hydrochloride
Similarity: 0.98
[ 1023301-84-9 ]
tert-Butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate hydrochloride
Similarity: 0.98
[ 236406-22-7 ]
1-Boc-4-(Aminomethyl)-4-methylpiperidine
Similarity: 0.98
[ 189333-03-7 ]
tert-Butyl 2,9-diazaspiro[5.5]undecane-2-carboxylate
Similarity: 0.98
[ 138022-04-5 ]
tert-Butyl methyl(piperidin-4-ylmethyl)carbamate
Similarity: 0.98
[ 929302-18-1 ]
tert-Butyl 2,7-diazaspiro[3.5]nonane-2-carboxylate hydrochloride
Similarity: 0.98
[ 1023301-84-9 ]
tert-Butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate hydrochloride
Similarity: 0.98
[ 236406-22-7 ]
1-Boc-4-(Aminomethyl)-4-methylpiperidine
Similarity: 0.98
[ 189333-03-7 ]
tert-Butyl 2,9-diazaspiro[5.5]undecane-2-carboxylate
Similarity: 0.98
[ 138022-04-5 ]
tert-Butyl methyl(piperidin-4-ylmethyl)carbamate
Similarity: 0.98
[ 929302-18-1 ]
tert-Butyl 2,7-diazaspiro[3.5]nonane-2-carboxylate hydrochloride
Similarity: 0.98
[ 1023301-84-9 ]
tert-Butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate hydrochloride
Similarity: 0.98
[ 1147423-01-5 ]
tert-Butyl 7-acetyl-2,7-diazaspiro[3.5]nonane-2-carboxylate
Similarity: 0.94
[ 1211586-09-2 ]
tert-Butyl 6-amino-2-azaspiro[3.3]heptane-2-carboxylate
Similarity: 0.92
[ 885270-86-0 ]
tert-Butyl 2,6-diazaspiro[3.4]octane-6-carboxylate
Similarity: 0.92
[ 929302-18-1 ]
tert-Butyl 2,7-diazaspiro[3.5]nonane-2-carboxylate hydrochloride
Similarity: 0.98
[ 1023301-84-9 ]
tert-Butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate hydrochloride
Similarity: 0.98
[ 236406-22-7 ]
1-Boc-4-(Aminomethyl)-4-methylpiperidine
Similarity: 0.98
[ 189333-03-7 ]
tert-Butyl 2,9-diazaspiro[5.5]undecane-2-carboxylate
Similarity: 0.98
[ 138022-04-5 ]
tert-Butyl methyl(piperidin-4-ylmethyl)carbamate
Similarity: 0.98
[ 929302-18-1 ]
tert-Butyl 2,7-diazaspiro[3.5]nonane-2-carboxylate hydrochloride
Similarity: 0.98
[ 1023301-84-9 ]
tert-Butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate hydrochloride
Similarity: 0.98
[ 1023595-19-8 ]
9-Boc-2,9-diazaspiro[5.5]undecane
Similarity: 0.98
[ 189333-03-7 ]
tert-Butyl 2,9-diazaspiro[5.5]undecane-2-carboxylate
Similarity: 0.98
[ 1279866-58-8 ]
tert-Butyl 2,9-diazaspiro[5.5]undecane-9-carboxylate hydrochloride
Similarity: 0.96