[email protected]
CAS 107890-32-4 1-(4-Trifluoromethylbenzyl)piperazine molecular structure lightbox
CAS RN: 107890-32-4

1-(4-Trifluoromethylbenzyl)piperazine

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250504 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-009218
GET A QUOTE
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: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 107890-32-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

107890-32-4 / 1-[[4-(trifluoromethyl)phenyl]methyl]piperazine

1-[4-(Trifluoromethyl)benzyl]piperazine | 1-(4-(Trifluoromethyl)benzyl)piperazine | DTXSID90382307

Standard CAS: 107890-32-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
107890-32-4
Multi CAS
Yes
Molecular Formula
C12H15F3N2
Molecular Weight
244.260000
Exact Mass
244.118733
SMILES
C1CN(CCN1)CC2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C12H15F3N2/c13-12(14,15)11-3-1-10(2-4-11)9-17-7-5-16-6-8-17/h1-4,16H,5-9H2
InChIKey
FAFAFWFQFVLXGF-UHFFFAOYSA-N
Synonyms
1-[4-(Trifluoromethyl)benzyl]piperazine 1-(4-(Trifluoromethyl)benzyl)piperazine DTXSID90382307 RefChem:428929 DTXCID70333332

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
59.59
TPSA
15.27

LogP / Solubility

WLOGP
2.11
MLOGP
1.86
XLogP3
2
Consensus LogP
1.99
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.09
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.24
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.71

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H301 (97.6%): Toxic if swallowed [Danger Acute toxicity, oral] H315 (95.2%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (95.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (95.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us