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CAS 1416352-07-2 2-METHOXY-4-(4-TRIFLUOROMETHYL-PIPERIDIN-1-YL)-ANILINE molecular structure lightbox
CAS RN: 1416352-07-2

2-METHOXY-4-(4-TRIFLUOROMETHYL-PIPERIDIN-1-YL)-ANILINE

  • Product code: SSC-052055
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.1g, 0.25g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1416352-07-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 3 In Stock Hong Kong Inquiry
0.1g ≥95% 1 In Stock Shenzhen Inquiry
0.25g ≥95% 1 In Stock Beijing Inquiry
5g ≥95% 1 In Stock Shenzhen Inquiry

1416352-07-2 / 2-methoxy-4-[4-(trifluoromethyl)piperidin-1-yl]aniline

Standard CAS: 1416352-07-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1416352-07-2
Multi CAS
No
Molecular Formula
C13H17F3N2O
Molecular Weight
274.280000
Exact Mass
274.129298
SMILES
COC1=C(C=CC(=C1)N2CCC(CC2)C(F)(F)F)N
InChI
InChI=1S/C13H17F3N2O/c1-19-12-8-10(2-3-11(12)17)18-6-4-9(5-7-18)13(14,15)16/h2-3,8-9H,4-7,17H2,1H3
InChIKey
KGLPPUNTAMXGDK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
68.4
TPSA
38.49

LogP / Solubility

WLOGP
3.06
MLOGP
2.7
XLogP3
3.2
Consensus LogP
2.99
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.22
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)
-2.22

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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