![CAS 195194-80-0 2-Piperidinone, N-[4-bromo-n-butyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/195194-80-0.gif)
CAS RN: 195194-80-0
2-Piperidinone, N-[4-bromo-n-butyl]-
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.20250615 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS195194-80-0
- Purity/Analytical Methods: >99.0%
195194-80-0 / 1-(4-bromobutyl)piperidin-2-one
Basic Information
CAS
195194-80-0
Multi CAS
No
Molecular Formula
C9H16BrNO
Molecular Weight
234.130000
Exact Mass
233.041530
SMILES
C1CCN(C(=O)C1)CCCCBr
InChI
InChI=1S/C9H16BrNO/c10-6-2-4-8-11-7-3-1-5-9(11)12/h1-8H2
InChIKey
OBYSASJZICHTJD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.89
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
53.46
TPSA
20.31
LogP / Solubility
WLOGP
2.17
MLOGP
1.92
XLogP3
1.4
Consensus LogP
1.83
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.47
Class (SILICOS-IT)
Poorly soluble
ADME
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)
-2.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 195199-95-2 3-METHYL-N-[(1R)-1-METHYL-3-(4-METHYL-1-PIPERIDINYL)PROPYL]-N-METHYLBENZENESULFONAMIDE HYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/195199-95-2.gif)
