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. : | 934536-10-4 | MDL No. : | MFCD10566556 |
Formula : | C10H19FN2O2 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | ZQRYPCAUVKVMLZ-UHFFFAOYSA-N |
M.W : | 218.27 | Pubchem ID : | 21948952 |
Synonyms : |
|
Num. heavy atoms : | 15 |
Num. arom. heavy atoms : | 0 |
Fraction Csp3 : | 0.9 |
Num. rotatable bonds : | 3 |
Num. H-bond acceptors : | 4.0 |
Num. H-bond donors : | 1.0 |
Molar Refractivity : | 59.35 |
TPSA : | 55.56 Ų |
GI absorption : | High |
BBB permeant : | Yes |
P-gp substrate : | No |
CYP1A2 inhibitor : | No |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -7.08 cm/s |
Log Po/w (iLOGP) : | 2.25 |
Log Po/w (XLOGP3) : | 0.78 |
Log Po/w (WLOGP) : | 1.33 |
Log Po/w (MLOGP) : | 1.01 |
Log Po/w (SILICOS-IT) : | 0.35 |
Consensus Log Po/w : | 1.14 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -1.49 |
Solubility : | 7.12 mg/ml ; 0.0326 mol/l |
Class : | Very soluble |
Log S (Ali) : | -1.53 |
Solubility : | 6.48 mg/ml ; 0.0297 mol/l |
Class : | Very soluble |
Log S (SILICOS-IT) : | -0.97 |
Solubility : | 23.3 mg/ml ; 0.107 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 3.22 |
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 |
---|---|---|
98% | With ammonium acetate; sodium cyanoborohydride In methanol at 20℃; for 18 h; Inert atmosphere | tert-Butyl 4-amino-3-fluoropiperidine-1-carboxylate At room temperature, to a solution of tert-butyl 3-fluoro-4-oxopiperidine-1-carboxylate (5.10 g, 23.02 mmol) in methanol (100 mL) were added ammonium acetate (12.51 g, 162.29 mmol) and sodium cyanoborohydride (1.90 g, 29.92 mmol) in sequence. The resulting solution was stirred for 18 h at room temperature and then treated with sodium carbonate (50 mL, 1percent). The resulting mixture was extracted with ethyl acetate (100 mL*3) and the organic layers were combined, dried over anhydrous sodium sulfate and concentrated under reduced pressure to yield tert-butyl 4-amino-3-fluoropiperidine-1-carboxylate as yellow solid (4.9 g, 98percent). |
[ 1255666-48-8 ]
tert-Butyl 4-amino-3,3-difluoropiperidine-1-carboxylate
Similarity: 0.93
[ 1290191-73-9 ]
(3S,4R)-tert-Butyl 3-amino-4-fluoropiperidine-1-carboxylate
Similarity: 0.90
[ 955028-88-3 ]
cis-tert-Butyl 3-fluoro-4-hydroxypiperidine-1-carboxylate
Similarity: 0.88
[ 373604-28-5 ]
tert-Butyl 3-fluoro-4-hydroxypiperidine-1-carboxylate
Similarity: 0.88
[ 620611-27-0 ]
tert-Butyl 4-(aminomethyl)-4-fluoropiperidine-1-carboxylate
Similarity: 0.88
[ 1255666-48-8 ]
tert-Butyl 4-amino-3,3-difluoropiperidine-1-carboxylate
Similarity: 0.93
[ 1290191-73-9 ]
(3S,4R)-tert-Butyl 3-amino-4-fluoropiperidine-1-carboxylate
Similarity: 0.90
[ 955028-88-3 ]
cis-tert-Butyl 3-fluoro-4-hydroxypiperidine-1-carboxylate
Similarity: 0.88
[ 373604-28-5 ]
tert-Butyl 3-fluoro-4-hydroxypiperidine-1-carboxylate
Similarity: 0.88
[ 620611-27-0 ]
tert-Butyl 4-(aminomethyl)-4-fluoropiperidine-1-carboxylate
Similarity: 0.88
[ 1255666-48-8 ]
tert-Butyl 4-amino-3,3-difluoropiperidine-1-carboxylate
Similarity: 0.93
[ 1290191-73-9 ]
(3S,4R)-tert-Butyl 3-amino-4-fluoropiperidine-1-carboxylate
Similarity: 0.90
[ 620611-27-0 ]
tert-Butyl 4-(aminomethyl)-4-fluoropiperidine-1-carboxylate
Similarity: 0.88
[ 1174020-30-4 ]
(3S,4R)-tert-Butyl 3-amino-4-fluoropyrrolidine-1-carboxylate
Similarity: 0.87
[ 1431720-86-3 ]
cis-tert-Butyl 3-amino-4-fluoropyrrolidine-1-carboxylate
Similarity: 0.87
[ 1255666-48-8 ]
tert-Butyl 4-amino-3,3-difluoropiperidine-1-carboxylate
Similarity: 0.93
[ 1290191-73-9 ]
(3S,4R)-tert-Butyl 3-amino-4-fluoropiperidine-1-carboxylate
Similarity: 0.90
[ 955028-88-3 ]
cis-tert-Butyl 3-fluoro-4-hydroxypiperidine-1-carboxylate
Similarity: 0.88
[ 373604-28-5 ]
tert-Butyl 3-fluoro-4-hydroxypiperidine-1-carboxylate
Similarity: 0.88
[ 620611-27-0 ]
tert-Butyl 4-(aminomethyl)-4-fluoropiperidine-1-carboxylate
Similarity: 0.88
[ 1255666-48-8 ]
tert-Butyl 4-amino-3,3-difluoropiperidine-1-carboxylate
Similarity: 0.93
[ 1290191-73-9 ]
(3S,4R)-tert-Butyl 3-amino-4-fluoropiperidine-1-carboxylate
Similarity: 0.90
[ 955028-88-3 ]
cis-tert-Butyl 3-fluoro-4-hydroxypiperidine-1-carboxylate
Similarity: 0.88
[ 373604-28-5 ]
tert-Butyl 3-fluoro-4-hydroxypiperidine-1-carboxylate
Similarity: 0.88
[ 620611-27-0 ]
tert-Butyl 4-(aminomethyl)-4-fluoropiperidine-1-carboxylate
Similarity: 0.88