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CAS 252758-94-4 2-(4-METHYL-PIPERIDIN-1-YL)-PHENYLAMINE molecular structure lightbox
CAS RN: 252758-94-4

2-(4-METHYL-PIPERIDIN-1-YL)-PHENYLAMINE

  • Product code: SSC-121094
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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: 5g
  • 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 252758-94-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

252758-94-4 / 2-(4-methylpiperidin-1-yl)aniline

Standard CAS: 252758-94-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
252758-94-4
Multi CAS
No
Molecular Formula
C12H18N2
Molecular Weight
190.280000
Exact Mass
190.146999
InChI
InChI=1S/C12H18N2/c1-10-6-8-14(9-7-10)12-5-3-2-4-11(12)13/h2-5,10H,6-9,13H2,1H3
InChIKey
MOJQNIVEQAVVGV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
61.47
TPSA
29.26

LogP / Solubility

WLOGP
2.51
MLOGP
2.2
XLogP3
2.6
Consensus LogP
2.44
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.1
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)
-2.1

Drug-likeness / Medicinal Chemistry

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

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