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CAS 111669-25-1 3-Amino-2-[4-butoxycarbonyl(piperazino)]pyridine molecular structure lightbox
CAS RN: 111669-25-1

3-Amino-2-[4-butoxycarbonyl(piperazino)]pyridine

Product Availability

Choose a grade to view its available package options.

5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250514 100mg Out of stock Inquiry
Batchno.20250419 10g Out of stock Inquiry
Batchno.20260225 1g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260427 250mg In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260126 5g In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-012269
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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: 5g
  • 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 111669-25-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

111669-25-1 / tert-butyl 4-(3-amino-2-pyridinyl)piperazine-1-carboxylate

Tert-butyl 4-(3-aminopyridin-2-yl)piperazine-1-carboxylate | DTXSID00373347 | RefChem:893685

Standard CAS: 111669-25-1 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
111669-25-1
Multi CAS
Yes
Molecular Formula
C14H22N4O2
Molecular Weight
278.350000
Exact Mass
278.174276
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=CC=N2)N
InChI
InChI=1S/C14H22N4O2/c1-14(2,3)20-13(19)18-9-7-17(8-10-18)12-11(15)5-4-6-16-12/h4-6H,7-10,15H2,1-3H3
InChIKey
CBTYZJKYXVDWOG-UHFFFAOYSA-N
Synonyms
Tert-butyl 4-(3-aminopyridin-2-yl)piperazine-1-carboxylate DTXSID00373347 RefChem:893685 DTXCID00324379 672-812-9

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
78.67
TPSA
71.69

LogP / Solubility

WLOGP
1.72
MLOGP
1.52
XLogP3
1.3
Consensus LogP
1.51
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.09
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.02
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)
-3.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
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 (75%): 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] H332 (75%): Harmful if inhaled [Warning Acute toxicity, inhalation] 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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