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CAS 1008-91-9 1-(4-Pyridyl)piperazine molecular structure lightbox
CAS RN: 1008-91-9

1-(4-Pyridyl)piperazine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260612 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-001530
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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, 5g, 10g, 25g
  • 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 1008-91-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 0 Out of Stock Shenzhen Inquiry
5g >97% 0 Out of Stock Beijing Inquiry
10g >97% 0 Out of Stock Beijing Inquiry
25g >97% 0 Out of Stock Shanghai Inquiry

1008-91-9 / 1-pyridin-4-ylpiperazine

1-(4-Pyridyl)piperazine | DTXSID80143520 | 1-[4-pyridyl]piperazine

Standard CAS: 1008-91-9 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1008-91-9
Multi CAS
Yes
Molecular Formula
C9H13N3
Molecular Weight
163.220000
Exact Mass
163.110947
SMILES
C1CN(CCN1)C2=CC=NC=C2
InChI
InChI=1S/C9H13N3/c1-3-10-4-2-9(1)12-7-5-11-6-8-12/h1-4,11H,5-8H2
InChIKey
OQZBAQXTXNIPRA-UHFFFAOYSA-N
Synonyms
1-(4-Pyridyl)piperazine DTXSID80143520 1-[4-pyridyl]piperazine RefChem:426022 DTXCID7066011

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.32
TPSA
28.16

LogP / Solubility

WLOGP
0.49
MLOGP
0.43
XLogP3
0.3
Consensus LogP
0.41
Log S (ESOL)
-1.47
Class (ESOL)
Soluble
Log S (Ali)
-1.25
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.25
Class (SILICOS-IT)
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)
-3.37

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

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