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CAS 383128-39-0 2-(3,5-DIMETHYLPHENYL)PIPERIDINE molecular structure lightbox
CAS RN: 383128-39-0

2-(3,5-DIMETHYLPHENYL)PIPERIDINE

  • Product code: SSC-145879
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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: 5g
  • 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 383128-39-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

383128-39-0 / 2-(3,5-dimethylphenyl)piperidine

Standard CAS: 383128-39-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
383128-39-0
Multi CAS
No
Molecular Formula
C13H19N
Molecular Weight
189.300000
Exact Mass
189.151750
InChI
InChI=1S/C13H19N/c1-10-7-11(2)9-12(8-10)13-5-3-4-6-14-13/h7-9,13-14H,3-6H2,1-2H3
InChIKey
ITOUMWCWDRQGPJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
60.51
TPSA
12.03

LogP / Solubility

WLOGP
3.12
MLOGP
2.74
XLogP3
2.9
Consensus LogP
2.92
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.6
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)
-1.66

Drug-likeness / Medicinal Chemistry

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

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