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CAS 25519-83-9 4-(3-TRIFLUOROMETHYLBENZOYL)-PIPERIDINE, HYDROCHLORIDE molecular structure lightbox
CAS RN: 25519-83-9

4-(3-TRIFLUOROMETHYLBENZOYL)-PIPERIDINE, HYDROCHLORIDE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250217 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS25519-83-9
  • Purity/Analytical Methods: >99.0%
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25519-83-9 / piperidin-4-yl-[4-(trifluoromethyl)phenyl]methanone;hydrochloride

Standard CAS: 25519-83-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25519-83-9
Multi CAS
No
Molecular Formula
C13H15ClF3NO
Molecular Weight
293.710000
Exact Mass
293.079426
SMILES
C1CNCCC1C(=O)C2=CC=C(C=C2)C(F)(F)F.Cl
InChI
InChI=1S/C13H14F3NO.ClH/c14-13(15,16)11-3-1-9(2-4-11)12(18)10-5-7-17-8-6-10;/h1-4,10,17H,5-8H2;1H
InChIKey
HCCJUYRHQMAMMX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
68.62
TPSA
29.1

LogP / Solubility

WLOGP
3.31
MLOGP
2.92
XLogP3
3.31
Consensus LogP
3.18
Log S (ESOL)
-3.85
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.56
Class (SILICOS-IT)
Slightly 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)
-2.16

Drug-likeness / Medicinal Chemistry

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

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