CAS RN: 1181457-79-3
1-ethyl-4-piperidin-4-ylpiperazine:trihydrochloride
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.20260106 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-017951
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, 10g
- 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.
1181457-79-3 / 1-ethyl-4-piperidin-4-ylpiperazine;trihydrochloride
1-ethyl-4-(piperidin-4-yl)piperazine hydrochloride | MFCD06800708 | 1-Ethyl-4-piperidin-4-yl-piperazinehydrochloride
Basic Information
CAS
1181457-79-3
Multi CAS
Yes
Molecular Formula
C11H26Cl3N3
Molecular Weight
306.700000
Exact Mass
305.119231
SMILES
CCN1CCN(CC1)C2CCNCC2.Cl.Cl.Cl
InChI
InChI=1S/C11H23N3.3ClH/c1-2-13-7-9-14(10-8-13)11-3-5-12-6-4-11;;;/h11-12H,2-10H2,1H3;3*1H
InChIKey
NPOWUFOCIRMVMC-UHFFFAOYSA-N
Synonyms
1-ethyl-4-(piperidin-4-yl)piperazine hydrochloride
MFCD06800708
1-Ethyl-4-piperidin-4-yl-piperazinehydrochloride
1-Ethyl-4-piperidin-4-yl-piperazine
1-Ethyl-4-(piperidin-4-yl)piperazine HCl
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
81.32
TPSA
18.51
LogP / Solubility
WLOGP
1.64
MLOGP
1.46
XLogP3
1.64
Consensus LogP
1.58
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.26
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.26
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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