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. : | 368429-78-1 | MDL No. : | MFCD19980510 |
Formula : | C12H19ClN2 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | NLKWAJAEIWXJJY-UHFFFAOYSA-N |
M.W : | 226.75 | Pubchem ID : | 54606353 |
Synonyms : |
|
Num. heavy atoms : | 15 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.5 |
Num. rotatable bonds : | 2 |
Num. H-bond acceptors : | 2.0 |
Num. H-bond donors : | 1.0 |
Molar Refractivity : | 69.81 |
TPSA : | 29.26 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) : | -6.14 cm/s |
Log Po/w (iLOGP) : | 0.0 |
Log Po/w (XLOGP3) : | 2.17 |
Log Po/w (WLOGP) : | 1.88 |
Log Po/w (MLOGP) : | 2.02 |
Log Po/w (SILICOS-IT) : | 1.76 |
Consensus Log Po/w : | 1.57 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -2.78 |
Solubility : | 0.379 mg/ml ; 0.00167 mol/l |
Class : | Soluble |
Log S (Ali) : | -2.42 |
Solubility : | 0.867 mg/ml ; 0.00382 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -2.94 |
Solubility : | 0.261 mg/ml ; 0.00115 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 1.8 |
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: |
[ 1062580-52-2 ]
(3R,4R)-1-Benzyl-N,4-dimethylpiperidin-3-amine dihydrochloride
Similarity: 0.90
[ 131852-54-5 ]
(S)-1-Benzylpyrrolidin-3-amine dihydrochloride
Similarity: 0.90
[ 1205-72-7 ]
1-Benzylpiperidin-4-amine dihydrochloride
Similarity: 0.89
[ 477600-69-4 ]
cis-1-Benzyl-N,4-dimethylpiperidin-3-amine
Similarity: 0.88
[ 1062580-52-2 ]
(3R,4R)-1-Benzyl-N,4-dimethylpiperidin-3-amine dihydrochloride
Similarity: 0.90
[ 131852-54-5 ]
(S)-1-Benzylpyrrolidin-3-amine dihydrochloride
Similarity: 0.90
[ 1205-72-7 ]
1-Benzylpiperidin-4-amine dihydrochloride
Similarity: 0.89
[ 477600-69-4 ]
cis-1-Benzyl-N,4-dimethylpiperidin-3-amine
Similarity: 0.88
[ 1062580-52-2 ]
(3R,4R)-1-Benzyl-N,4-dimethylpiperidin-3-amine dihydrochloride
Similarity: 0.90
[ 131852-54-5 ]
(S)-1-Benzylpyrrolidin-3-amine dihydrochloride
Similarity: 0.90
[ 1205-72-7 ]
1-Benzylpiperidin-4-amine dihydrochloride
Similarity: 0.89
[ 1354621-59-2 ]
(3S,4S)-1-Benzyl-N,4-dimethylpiperidin-3-amine
Similarity: 0.88
[ 1062580-52-2 ]
(3R,4R)-1-Benzyl-N,4-dimethylpiperidin-3-amine dihydrochloride
Similarity: 0.90
[ 1205-72-7 ]
1-Benzylpiperidin-4-amine dihydrochloride
Similarity: 0.89
[ 1354621-59-2 ]
(3S,4S)-1-Benzyl-N,4-dimethylpiperidin-3-amine
Similarity: 0.88
[ 477600-69-4 ]
cis-1-Benzyl-N,4-dimethylpiperidin-3-amine
Similarity: 0.88