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CAS 959795-69-8 4-[4-(4-Methyl-piperazin-1-yl)-piperidin-1-yl]-1-nitrobenzene molecular structure lightbox
CAS RN: 959795-69-8

4-[4-(4-Methyl-piperazin-1-yl)-piperidin-1-yl]-1-nitrobenzene

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251227 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-211739
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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 959795-69-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

959795-69-8 / 1-methyl-4-[1-(4-nitrophenyl)piperidin-4-yl]piperazine

Standard CAS: 959795-69-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
959795-69-8
Multi CAS
No
Molecular Formula
C16H24N4O2
Molecular Weight
304.390000
Exact Mass
304.189926
InChI
InChI=1S/C16H24N4O2/c1-17-10-12-19(13-11-17)15-6-8-18(9-7-15)14-2-4-16(5-3-14)20(21)22/h2-5,15H,6-13H2,1H3
InChIKey
KRYROZZRYCYKMZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
87.4
TPSA
52.86

LogP / Solubility

WLOGP
1.81
MLOGP
1.61
XLogP3
2.3
Consensus LogP
1.91
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.5
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)
-3.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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