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CAS 1159812-65-3 2-TERT-BUTYL PIPERAZINE-2HCl molecular structure lightbox
CAS RN: 1159812-65-3

2-TERT-BUTYL PIPERAZINE-2HCl

  • Product code: SSC-015866
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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: 0.1g
  • 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 1159812-65-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry

1159812-65-3 / 2-tert-butylpiperazine;dihydrochloride

2-(tert-Butyl)piperazine dihydrochloride | 2-tert-Butylpiperazine dihydrochloride | 2-tert-butylpiperazine;dihydrochloride

Standard CAS: 1159812-65-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1159812-65-3
Multi CAS
No
Molecular Formula
C8H20Cl2N2
Molecular Weight
215.160000
Exact Mass
214.100354
SMILES
CC(C)(C)C1CNCCN1.Cl.Cl
InChI
InChI=1S/C8H18N2.2ClH/c1-8(2,3)7-6-9-4-5-10-7;;/h7,9-10H,4-6H2,1-3H3;2*1H
InChIKey
FKVAHPAJPGKVHW-UHFFFAOYSA-N
Synonyms
2-(tert-Butyl)piperazine dihydrochloride 2-tert-Butylpiperazine dihydrochloride 2-tert-butylpiperazine;dihydrochloride Piperazine, 2-(1,1-dimethylethyl)-, hydrochloride (1:2) MFCD16990497

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
58.61
TPSA
24.06

LogP / Solubility

WLOGP
1.44
MLOGP
1.27
XLogP3
1.44
Consensus LogP
1.38
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.25
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.01

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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