CAS RN: 84254-97-7
N-BENZYL-4-CYANO-4-(1-PIPERIDINO)-PIPERIDINE, 98
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260520 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS84254-97-7
- Purity/Analytical Methods: >99.0%
84254-97-7 / 1-benzyl-4-piperidin-1-ylpiperidine-4-carbonitrile
Basic Information
CAS
84254-97-7
Multi CAS
No
Molecular Formula
C18H25N3
Molecular Weight
283.400000
Exact Mass
283.204848
InChI
InChI=1S/C18H25N3/c19-16-18(21-11-5-2-6-12-21)9-13-20(14-10-18)15-17-7-3-1-4-8-17/h1,3-4,7-8H,2,5-6,9-15H2
InChIKey
XXZATAXHOSMHKY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.61
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
84.72
TPSA
30.27
LogP / Solubility
WLOGP
3.03
MLOGP
2.68
XLogP3
2.8
Consensus LogP
2.84
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.38
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
Customers Also Viewed
-
-
-
4-methyl-2-undecyl-1H-imidazole-5-carboxylic acid
- CAS RN: 84255-26-5
- Product Code: SSC-191810
-
Benzenepropanoic acid, 3-(2H-benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxy-, methyl ester
- CAS RN: 84268-33-7
- Product Code: SSC-191812
-
D-[4-13C]GLUCOSE
- CAS RN: 84270-10-0
- Product Code: starshine_CAS84270-10-0
- Purity/Analytical method: >99.0%
-
2-Butenoic acid, 2-methyl-, (3S)-3,4-dihydro-5-hydroxy-2,2,8-trimethyl-6-oxo-2H,6H-benzo[1,2-b:5,4-b’]dipyran-3-yl ester, (2Z)-
- CAS RN: 84272-84-4
- Product Code: starshine_CAS84272-84-4
- Purity/Analytical method: >99.0%
![CAS 84270-10-0 D-[4-13C]GLUCOSE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/84270-10-0.gif)
![CAS 84272-84-4 2-Butenoic acid, 2-methyl-, (3S)-3,4-dihydro-5-hydroxy-2,2,8-trimethyl-6-oxo-2H,6H-benzo[1,2-b:5,4-b’]dipyran-3-yl ester, (2Z)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/84272-84-4.gif)