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CAS 1155269-82-1 tert-butyl 4-(4-hydroxybutyl)piperazine-1-carboxylate molecular structure lightbox
CAS RN: 1155269-82-1

tert-butyl 4-(4-hydroxybutyl)piperazine-1-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250722 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-015293
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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 1155269-82-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1155269-82-1 / tert-butyl 4-(4-hydroxybutyl)piperazine-1-carboxylate

tert-butyl 4-(4-hydroxybutyl)piperazine-1-carboxylate | RefChem:893740 | 866-305-3

Standard CAS: 1155269-82-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1155269-82-1
Multi CAS
No
Molecular Formula
C13H26N2O3
Molecular Weight
258.360000
Exact Mass
258.194343
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)CCCCO
InChI
InChI=1S/C13H26N2O3/c1-13(2,3)18-12(17)15-9-7-14(8-10-15)6-4-5-11-16/h16H,4-11H2,1-3H3
InChIKey
WXMAGSGGBIUCBY-UHFFFAOYSA-N
Synonyms
tert-butyl 4-(4-hydroxybutyl)piperazine-1-carboxylate RefChem:893740 866-305-3 MFCD19330915 SCHEMBL12193455

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.92
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
70.57
TPSA
53.01

LogP / Solubility

WLOGP
1.31
MLOGP
1.16
XLogP3
1
Consensus LogP
1.16
Log S (ESOL)
-2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.63
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.36

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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