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CAS 1547092-69-2 4-FLUORO-4-(M-TOLYL)PIPERIDINE molecular structure lightbox
CAS RN: 1547092-69-2

4-FLUORO-4-(M-TOLYL)PIPERIDINE

  • Product code: SSC-064071
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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 1547092-69-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1547092-69-2 / 4-fluoro-4-(3-methylphenyl)piperidine

Standard CAS: 1547092-69-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1547092-69-2
Multi CAS
No
Molecular Formula
C12H16FN
Molecular Weight
193.260000
Exact Mass
193.126678
SMILES
CC1=CC(=CC=C1)C2(CCNCC2)F
InChI
InChI=1S/C12H16FN/c1-10-3-2-4-11(9-10)12(13)5-7-14-8-6-12/h2-4,9,14H,5-8H2,1H3
InChIKey
UWJUHNGPBVORQU-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
56.07
TPSA
12.03

LogP / Solubility

WLOGP
2.54
MLOGP
2.24
XLogP3
2.3
Consensus LogP
2.36
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.15
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)
-2.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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