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CAS 19733-57-4 4-(3-Piperidyl)aniline Dihydrochloride molecular structure lightbox
CAS RN: 19733-57-4

4-(3-Piperidyl)aniline Dihydrochloride

  • Product code: SSC-093050
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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: 0.25g, 1g
  • 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 19733-57-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 0 Out of Stock Shenzhen Inquiry
1g >97% 0 Out of Stock Shenzhen Inquiry

19733-57-4 / 4-piperidin-3-ylaniline;dihydrochloride

Standard CAS: 19733-57-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19733-57-4
Multi CAS
No
Molecular Formula
C11H18Cl2N2
Molecular Weight
249.180000
Exact Mass
248.084704
SMILES
C1CC(CNC1)C2=CC=C(C=C2)N.Cl.Cl
InChI
InChI=1S/C11H16N2.2ClH/c12-11-5-3-9(4-6-11)10-2-1-7-13-8-10;;/h3-6,10,13H,1-2,7-8,12H2;2*1H
InChIKey
LHBXDRDCMOQPJV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
70.2
TPSA
38.05

LogP / Solubility

WLOGP
2.58
MLOGP
2.28
XLogP3
2.58
Consensus LogP
2.48
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.54
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)
-2.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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