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. : | 58971-08-7 | MDL No. : | MFCD24628624 |
Formula : | C12H16N2O | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | WWKZWKKEYNZSQL-UHFFFAOYSA-N |
M.W : | 204.27 | Pubchem ID : | 67411622 |
Synonyms : |
|
Num. heavy atoms : | 15 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.42 |
Num. rotatable bonds : | 2 |
Num. H-bond acceptors : | 1.0 |
Num. H-bond donors : | 1.0 |
Molar Refractivity : | 63.61 |
TPSA : | 46.33 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) : | -6.54 cm/s |
Log Po/w (iLOGP) : | 1.72 |
Log Po/w (XLOGP3) : | 1.41 |
Log Po/w (WLOGP) : | 1.01 |
Log Po/w (MLOGP) : | 1.45 |
Log Po/w (SILICOS-IT) : | 1.27 |
Consensus Log Po/w : | 1.37 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -2.16 |
Solubility : | 1.42 mg/ml ; 0.00694 mol/l |
Class : | Soluble |
Log S (Ali) : | -1.99 |
Solubility : | 2.1 mg/ml ; 0.0103 mol/l |
Class : | Very soluble |
Log S (SILICOS-IT) : | -2.49 |
Solubility : | 0.667 mg/ml ; 0.00327 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 1.94 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P280-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H302 | Packing Group: | N/A |
GHS Pictogram: |
[ 170353-34-1 ]
1-Phenylpiperidine-4-carboxamide
Similarity: 0.96
[ 124401-38-3 ]
4-Methyl-3-oxo-N-phenylpentanamide
Similarity: 0.79
[ 94201-40-8 ]
1-Phenylpiperidine-4-carboxylic acid
Similarity: 0.76
[ 170353-34-1 ]
1-Phenylpiperidine-4-carboxamide
Similarity: 0.96
[ 124401-38-3 ]
4-Methyl-3-oxo-N-phenylpentanamide
Similarity: 0.79
[ 1175358-24-3 ]
1'H-Spiro[piperidine-4,3'-quinolin]-2'(4'H)-one hydrochloride
Similarity: 0.72
[ 170353-34-1 ]
1-Phenylpiperidine-4-carboxamide
Similarity: 0.96
[ 124401-38-3 ]
4-Methyl-3-oxo-N-phenylpentanamide
Similarity: 0.79
[ 252758-94-4 ]
2-(4-Methylpiperidin-1-yl)aniline
Similarity: 0.70
[ 489402-47-3 ]
N-Mesitylbicyclo[2.2.1]heptane-2-carboxamide
Similarity: 0.70
[ 170353-34-1 ]
1-Phenylpiperidine-4-carboxamide
Similarity: 0.96
[ 94201-40-8 ]
1-Phenylpiperidine-4-carboxylic acid
Similarity: 0.76
[ 209005-67-4 ]
1-Phenylpiperidine-4-carboxylic acid hydrochloride
Similarity: 0.75
[ 697306-45-9 ]
(1-Phenylpiperidin-4-yl)methanol
Similarity: 0.71
[ 170353-34-1 ]
1-Phenylpiperidine-4-carboxamide
Similarity: 0.96
[ 94201-40-8 ]
1-Phenylpiperidine-4-carboxylic acid
Similarity: 0.76
[ 209005-67-4 ]
1-Phenylpiperidine-4-carboxylic acid hydrochloride
Similarity: 0.75
[ 697306-45-9 ]
(1-Phenylpiperidin-4-yl)methanol
Similarity: 0.71