[email protected]
CAS 55513-16-1 1-(3-(TRIFLUOROMETHYL)BENZYL)PIPERAZINE& molecular structure lightbox
CAS RN: 55513-16-1

1-(3-(TRIFLUOROMETHYL)BENZYL)PIPERAZINE&

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250515 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS55513-16-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

55513-16-1 / 1-[[3-(trifluoromethyl)phenyl]methyl]piperazine

Standard CAS: 55513-16-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
55513-16-1
Multi CAS
Yes
Molecular Formula
C12F3H15N2
Molecular Weight
244.260000
Exact Mass
244.118733
InChI
InChI=1S/C12H15F3N2/c13-12(14,15)11-3-1-2-10(8-11)9-17-6-4-16-5-7-17/h1-3,8,16H,4-7,9H2
InChIKey
IUMQPHHEFKTLOZ-UHFFFAOYSA-N

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

Customers Also Viewed

Get In Touch

Contact Us