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CAS 57645-53-1 1-(3-Methoxybenzyl)piperidin-4-amine dihydrochloride molecular structure lightbox
CAS RN: 57645-53-1

1-(3-Methoxybenzyl)piperidin-4-amine dihydrochloride

  • Product code: SSC-165817
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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: 1g
  • Available purity: ＞95%
  • 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 57645-53-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shanghai Inquiry

57645-53-1 / 1-[(3-methoxyphenyl)methyl]piperidin-4-amine;dihydrochloride

Standard CAS: 57645-53-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
57645-53-1
Multi CAS
No
Molecular Formula
C13H22CL2N2O
Molecular Weight
293.230000
Exact Mass
292.110919
InChI
InChI=1S/C13H20N2O.2ClH/c1-16-13-4-2-3-11(9-13)10-15-7-5-12(14)6-8-15;;/h2-4,9,12H,5-8,10,14H2,1H3;2*1H
InChIKey
RXZBRMGOZIVRMO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
79.98
TPSA
38.49

LogP / Solubility

WLOGP
2.46
MLOGP
2.18
XLogP3
2.46
Consensus LogP
2.37
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.74
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.97
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.76

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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