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. : | 405057-75-2 | MDL No. : | MFCD07772081 |
Formula : | C14H20N2O2 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | UKMMXAXGJCWGTF-UHFFFAOYSA-N |
M.W : | 248.32 | Pubchem ID : | 18621153 |
Synonyms : |
|
Num. heavy atoms : | 18 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.5 |
Num. rotatable bonds : | 5 |
Num. H-bond acceptors : | 3.0 |
Num. H-bond donors : | 1.0 |
Molar Refractivity : | 74.23 |
TPSA : | 41.57 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) : | -6.57 cm/s |
Log Po/w (iLOGP) : | 2.97 |
Log Po/w (XLOGP3) : | 1.75 |
Log Po/w (WLOGP) : | 1.47 |
Log Po/w (MLOGP) : | 1.68 |
Log Po/w (SILICOS-IT) : | 1.57 |
Consensus Log Po/w : | 1.89 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -2.4 |
Solubility : | 0.991 mg/ml ; 0.00399 mol/l |
Class : | Soluble |
Log S (Ali) : | -2.24 |
Solubility : | 1.43 mg/ml ; 0.00575 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -3.43 |
Solubility : | 0.0923 mg/ml ; 0.000372 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 2.72 |
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 |
---|---|---|
100% | Stage #1: With sodium tris(acetoxy)borohydride; acetic acid In 1,2-dichloro-ethane at 20℃; Stage #2: With sodium hydrogencarbonate In water; 1,2-dichloro-ethane |
To a suspension of 1-(benzyloxycarbonyl)piperidin-4-one (4 g, 17.16 mmol), methanamine hydrochloride (1.95 g, 18.88 mmol) and triacetoxy sodium borohydride (5.09 g, 24.02 mmol) in DCE (46 mL) was added HOAc (0.8 mL, 12.7 mmol), and the resulting mixture was stirred at room temperature overnight. The reaction mixture was treated with saturated aqueous NaHCO3 (50 mL) , extracted with CH2CI2 (3 X 40 mL), dried over Na2SO4, filtered, and concentrated in vacuo to give crude 1- (benzyloxycarbonyl)-4-methylaminopiperidine (4 g, 100percent): 1H NMR (400 MHz, CDCI3) δ ppm 7.31-7.35 (m, 5H), 5.12 (s, 2H), 4.13 (s, 2H), 3.72 (s, 3H), 2.86 (t, J = 10 Hz, 1 H), 2.56-2.63 (m, 1 H), 2.48 (s, 3H), 2.12 (s, 3H), 1.91 (s, 1 H), 1 .22-1.39 (m, 2H). |
[ 1159826-41-1 ]
Benzyl 4-aminopiperidine-1-carboxylate hydrochloride
Similarity: 0.97
[ 1001401-60-0 ]
(R)-Benzyl 5-methyl-1,4-diazepane-1-carboxylate
Similarity: 0.93
[ 1044560-96-4 ]
(R)-Benzyl 3-aminopiperidine-1-carboxylate
Similarity: 0.92
[ 1159826-41-1 ]
Benzyl 4-aminopiperidine-1-carboxylate hydrochloride
Similarity: 0.97
[ 1001401-60-0 ]
(R)-Benzyl 5-methyl-1,4-diazepane-1-carboxylate
Similarity: 0.93
[ 1044560-96-4 ]
(R)-Benzyl 3-aminopiperidine-1-carboxylate
Similarity: 0.92
[ 1159826-41-1 ]
Benzyl 4-aminopiperidine-1-carboxylate hydrochloride
Similarity: 0.97
[ 1044560-96-4 ]
(R)-Benzyl 3-aminopiperidine-1-carboxylate
Similarity: 0.92
[ 1159826-41-1 ]
Benzyl 4-aminopiperidine-1-carboxylate hydrochloride
Similarity: 0.97
[ 1044560-96-4 ]
(R)-Benzyl 3-aminopiperidine-1-carboxylate
Similarity: 0.92
[ 1159826-41-1 ]
Benzyl 4-aminopiperidine-1-carboxylate hydrochloride
Similarity: 0.97
[ 1044560-96-4 ]
(R)-Benzyl 3-aminopiperidine-1-carboxylate
Similarity: 0.92