![CAS 416852-29-4 1-[(4-Pyridyl)Methyl]piperazine Hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/416852-29-4.gif)
CAS RN: 416852-29-4
1-[(4-Pyridyl)Methyl]piperazine Hydrochloride
- Product code: SSC-150067
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
416852-29-4 / 1-(pyridin-4-ylmethyl)piperazine;hydrochloride
Basic Information
CAS
416852-29-4
Multi CAS
Yes
Molecular Formula
C10H16CLN3
Molecular Weight
213.710000
Exact Mass
213.103275
InChI
InChI=1S/C10H15N3.ClH/c1-3-11-4-2-10(1)9-13-7-5-12-6-8-13;/h1-4,12H,5-9H2;1H
InChIKey
OHKRNIHPWOZBJZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.63
TPSA
28.16
LogP / Solubility
WLOGP
0.91
MLOGP
0.8
XLogP3
0.91
Consensus LogP
0.87
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-1.97
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.04
Class (SILICOS-IT)
Moderately 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)
-3.38
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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![CAS 416852-69-2 1-Boc-4-[(N-Methoxy-N-MethylcarbaMoyl)Methyl]piperidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/416852-69-2.gif)
