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CAS 1289386-29-3 2-[(Methyl-piperidin-4-yl-aMino)-Methyl]-benzonitrile hydrochloride molecular structure lightbox
CAS RN: 1289386-29-3

2-[(Methyl-piperidin-4-yl-aMino)-Methyl]-benzonitrile hydrochloride

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260628 100mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-036145
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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 1289386-29-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1289386-29-3 / 2-[[methyl(piperidin-4-yl)amino]methyl]benzonitrile;hydrochloride

Standard CAS: 1289386-29-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1289386-29-3
Multi CAS
No
Molecular Formula
C14H20ClN3
Molecular Weight
265.780000
Exact Mass
265.134575
SMILES
CN(CC1=CC=CC=C1C#N)C2CCNCC2.Cl
InChI
InChI=1S/C14H19N3.ClH/c1-17(14-6-8-16-9-7-14)11-13-5-3-2-4-12(13)10-15;/h2-5,14,16H,6-9,11H2,1H3;1H
InChIKey
MLAWRBZWNAGIQG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
75.76
TPSA
39.06

LogP / Solubility

WLOGP
2.16
MLOGP
1.91
XLogP3
2.16
Consensus LogP
2.08
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.3
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.8

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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