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CAS 110469-59-5 1-tert-Butylpiperazine dihydrochloride molecular structure lightbox
CAS RN: 110469-59-5

1-tert-Butylpiperazine dihydrochloride

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251027 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-011541
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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: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 110469-59-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

110469-59-5 / 1-tert-butylpiperazine;dihydrochloride

1-tert-Butylpiperazine dihydrochloride | 1-(tert-Butyl)piperazine dihydrochloride | 1-TERT-BUTYLPIPERAZINE 2HCL

Standard CAS: 110469-59-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
110469-59-5
Multi CAS
Yes
Molecular Formula
C8H20Cl2N2
Molecular Weight
215.160000
Exact Mass
214.100354
SMILES
CC(C)(C)N1CCNCC1.Cl.Cl
InChI
InChI=1S/C8H18N2.2ClH/c1-8(2,3)10-6-4-9-5-7-10;;/h9H,4-7H2,1-3H3;2*1H
InChIKey
IZXIHCNVEXNZKH-UHFFFAOYSA-N
Synonyms
1-tert-Butylpiperazine dihydrochloride 1-(tert-Butyl)piperazine dihydrochloride 1-TERT-BUTYLPIPERAZINE 2HCL MFCD09759216 1-tert-butylpiperazine;dihydrochloride

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
58.69
TPSA
15.27

LogP / Solubility

WLOGP
1.53
MLOGP
1.35
XLogP3
1.53
Consensus LogP
1.47
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.33
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)
-2.94

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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