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CAS 488856-76-4 Piperidine, 3-(2-methylphenyl)-, hydrochloride (1:1) molecular structure lightbox
CAS RN: 488856-76-4

Piperidine, 3-(2-methylphenyl)-, hydrochloride (1:1)

  • Product code: SSC-155449
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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 488856-76-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

488856-76-4 / 3-(2-methylphenyl)piperidine;hydrochloride

Standard CAS: 488856-76-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
488856-76-4
Multi CAS
No
Molecular Formula
C12H18CLN
Molecular Weight
211.730000
Exact Mass
211.112777
InChI
InChI=1S/C12H17N.ClH/c1-10-5-2-3-7-12(10)11-6-4-8-13-9-11;/h2-3,5,7,11,13H,4,6,8-9H2,1H3;1H
InChIKey
BHLYXIANQPHIQN-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
1
H-bond donors
1
Molar refractivity
63.27
TPSA
12.03

LogP / Solubility

WLOGP
2.88
MLOGP
2.54
XLogP3
2.88
Consensus LogP
2.77
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.38
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.55
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)
-1.96

Drug-likeness / Medicinal Chemistry

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

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