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CAS 1233953-07-5 N-(2-Methoxybenzyl)piperidine-4-amine dihydrochloride molecular structure lightbox
CAS RN: 1233953-07-5

N-(2-Methoxybenzyl)piperidine-4-amine dihydrochloride

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250726 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-027093
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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
  • 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 1233953-07-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

1233953-07-5 / N-[(2-methoxyphenyl)methyl]piperidin-4-amine;dihydrochloride

Standard CAS: 1233953-07-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1233953-07-5
Multi CAS
No
Molecular Formula
C13H22Cl2N2O
Molecular Weight
293.230000
Exact Mass
292.110919
SMILES
COC1=CC=CC=C1CNC2CCNCC2.Cl.Cl
InChI
InChI=1S/C13H20N2O.2ClH/c1-16-13-5-3-2-4-11(13)10-15-12-6-8-14-9-7-12;;/h2-5,12,14-15H,6-10H2,1H3;2*1H
InChIKey
CYCJYIZKUDBDNR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
80.22
TPSA
33.29

LogP / Solubility

WLOGP
2.38
MLOGP
2.11
XLogP3
2.38
Consensus LogP
2.29
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.68
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.02
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)
-2.82

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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