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CAS 314062-45-8 PIPERAZINE-2,2,3,3,5,5,6,6-D8 DIHYDROCHLORIDE molecular structure lightbox
CAS RN: 314062-45-8

PIPERAZINE-2,2,3,3,5,5,6,6-D8 DIHYDROCHLORIDE

  • Product code: SSC-136778
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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: ≥95%
  • 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 314062-45-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

314062-45-8 / piperazine;dihydrochloride

Standard CAS: 314062-45-8 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
314062-45-8
Multi CAS
Yes
Molecular Formula
C4H12CL2N2
Molecular Weight
159.050000
Exact Mass
158.037754
InChI
InChI=1S/C4H10N2.2ClH.H2O/c1-2-6-4-3-5-1;;;/h5-6H,1-4H2;2*1H;1H2/i1D2,2D2,3D2,4D2;;;
InChIKey
ZQVBNUIFDLXAFI-JWDQIEIASA-N

Physical Properties

Melting Point
635 °F (NIOSH, 2024) 635 °F
Physical Description
Piperazine dihydrochloride appears as white to cream-colored needles or powder. Mp: 318-20 °C (with decomposition). White to cream-colored needles or powder; [NIOSH] White to cream-colored needles or powder.
Appearance
CREAM COLORED CRYSTALLINE POWDER WHITE NEEDLES White to creamy colored needles or powder.
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
40.24
TPSA
24.06

LogP / Solubility

WLOGP
0.02
MLOGP
0.02
XLogP3
0.02
Consensus LogP
0.02
Log S (ESOL)
-0.84
Class (ESOL)
Very soluble
Log S (Ali)
-0.88
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.71
Class (SILICOS-IT)
Very 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)
-3.67

Drug-likeness / Medicinal Chemistry

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

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