![CAS 930111-07-2 4-[(Methylamino)methyl]-1-(thien-2-ylmethyl)piperidine 97% molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/930111-07-2.gif)
CAS RN: 930111-07-2
4-[(Methylamino)methyl]-1-(thien-2-ylmethyl)piperidine 97%
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250507 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS930111-07-2
- Purity/Analytical Methods: >99.0%
930111-07-2 / N-methyl-1-[1-(thiophen-2-ylmethyl)piperidin-4-yl]methanamine
Basic Information
CAS
930111-07-2
Multi CAS
Yes
Molecular Formula
C12H20N2S
Molecular Weight
224.370000
Exact Mass
224.134720
InChI
InChI=1S/C12H20N2S/c1-13-9-11-4-6-14(7-5-11)10-12-3-2-8-15-12/h2-3,8,11,13H,4-7,9-10H2,1H3
InChIKey
JXFQDIBOGWDEEL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
66.25
TPSA
15.27
LogP / Solubility
WLOGP
2.18
MLOGP
1.92
XLogP3
1.8
Consensus LogP
1.97
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.41
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)
-2.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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