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. : | 919354-20-4 | MDL No. : | MFCD18207802 |
Formula : | C7H14ClNO2 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | GGMOJYOORZQAFB-UHFFFAOYSA-N |
M.W : | 179.64 | Pubchem ID : | 51000379 |
Synonyms : |
|
Num. heavy atoms : | 11 |
Num. arom. heavy atoms : | 0 |
Fraction Csp3 : | 0.86 |
Num. rotatable bonds : | 1 |
Num. H-bond acceptors : | 3.0 |
Num. H-bond donors : | 2.0 |
Molar Refractivity : | 48.84 |
TPSA : | 49.33 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) : | -8.32 cm/s |
Log Po/w (iLOGP) : | 0.0 |
Log Po/w (XLOGP3) : | -1.3 |
Log Po/w (WLOGP) : | 0.88 |
Log Po/w (MLOGP) : | 0.69 |
Log Po/w (SILICOS-IT) : | 0.86 |
Consensus Log Po/w : | 0.23 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 1.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -0.07 |
Solubility : | 153.0 mg/ml ; 0.854 mol/l |
Class : | Very soluble |
Log S (Ali) : | 0.76 |
Solubility : | 1040.0 mg/ml ; 5.78 mol/l |
Class : | Highly soluble |
Log S (SILICOS-IT) : | -1.04 |
Solubility : | 16.2 mg/ml ; 0.0902 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 1.19 |
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% | With hydrogenchloride In 1,4-dioxane at 20℃; for 2 h; | A. Preparation of 4-methylpiperidine 4-carboxylic acid. 1-(tert-Butoxycarbonyl)-4-methylpiperidine-4-carboxylic acid (0.500 g, 2.06 mmol) was treated with 4 M HCl in dioxane (10 mL) for 2 hours at room temperature to afford the title compound (0.294 g, 100percent) as the hydrochloride salt. MS (ES+) [M+H]+=144.0. |
[ 40117-63-3 ]
Quinuclidine-4-carboxylic acid hydrochloride
Similarity: 0.97
[ 71985-80-3 ]
1-Methylpiperidine-4-carboxylic acid hydrochloride
Similarity: 0.97
[ 5984-56-5 ]
Piperidine-4-carboxylic acid hydrochloride
Similarity: 0.97
[ 68947-43-3 ]
1-Methylpiperidine-4-carboxylic acid
Similarity: 0.94
[ 73415-84-6 ]
2-(Piperidin-4yl)acetic acid hydrochloride
Similarity: 0.91
[ 40117-63-3 ]
Quinuclidine-4-carboxylic acid hydrochloride
Similarity: 0.97
[ 71985-80-3 ]
1-Methylpiperidine-4-carboxylic acid hydrochloride
Similarity: 0.97
[ 5984-56-5 ]
Piperidine-4-carboxylic acid hydrochloride
Similarity: 0.97
[ 68947-43-3 ]
1-Methylpiperidine-4-carboxylic acid
Similarity: 0.94
[ 73415-84-6 ]
2-(Piperidin-4yl)acetic acid hydrochloride
Similarity: 0.91
[ 71985-80-3 ]
1-Methylpiperidine-4-carboxylic acid hydrochloride
Similarity: 0.97
[ 5984-56-5 ]
Piperidine-4-carboxylic acid hydrochloride
Similarity: 0.97
[ 68947-43-3 ]
1-Methylpiperidine-4-carboxylic acid
Similarity: 0.94
[ 73415-84-6 ]
2-(Piperidin-4yl)acetic acid hydrochloride
Similarity: 0.91
[ 19999-64-5 ]
1-Methylpiperidine-3-carboxylic acid hydrochloride
Similarity: 0.89