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CAS 1126621-86-0 PIPERAZINE-D8-N-T-BOC molecular structure lightbox
CAS RN: 1126621-86-0

PIPERAZINE-D8-N-T-BOC

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260629 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-012994
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.1g, 0.25g, 5g
  • Available purity: >98%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1126621-86-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >98% 2 In Stock Shenzhen Inquiry
0.1g >98% 1 In Stock Shanghai Inquiry
0.25g >98% 1 In Stock Hong Kong Inquiry
5g >98% 1 In Stock Shanghai Inquiry

1126621-86-0 / tert-butyl 2,2,3,3,5,5,6,6-octadeuteriopiperazine-1-carboxylate

1-Boc-piperazine | tert-butyl piperazine-1-carboxylate | N-Boc-piperazine

Standard CAS: 1126621-86-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1126621-86-0
Multi CAS
Yes
Molecular Formula
C9H18N2O2
Molecular Weight
194.300000
Exact Mass
194.187042
SMILES
[2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])C(=O)OC(C)(C)C)([2H])[2H])[2H]
InChI
InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-6-4-10-5-7-11/h10H,4-7H2,1-3H3/i4D2,5D2,6D2,7D2
InChIKey
CWXPZXBSDSIRCS-DUSUNJSHSA-N
Synonyms
1-Boc-piperazine tert-butyl piperazine-1-carboxylate N-Boc-piperazine 1-(tert-Butoxycarbonyl)piperazine N-t-Butoxycarbonylpiperazine

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.89
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
50.68
TPSA
41.57

LogP / Solubility

WLOGP
0.83
MLOGP
0.73
XLogP3
0.5
Consensus LogP
0.69
Log S (ESOL)
-1.52
Class (ESOL)
Soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.56
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)
-3.27

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)
Irritant Health Hazard
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] H373 (100%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
Precautionary Statement Codes
P260, P264, P264+P265, P280, P302+P352, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, and P501

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