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CAS 1019622-03-7 5′-Fluoro-2′-(1-piperidyl)acetophenone molecular structure lightbox
CAS RN: 1019622-03-7

5′-Fluoro-2′-(1-piperidyl)acetophenone

  • Product code: SSC-003106
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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 1019622-03-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

1019622-03-7 / 1-(5-fluoro-2-piperidin-1-ylphenyl)ethanone

5'-Fluoro-2'-(1-piperidyl)acetophenone | 1-(5-Fluoro-2-(piperidin-1-yl)phenyl)ethanone | MFCD11136822

Standard CAS: 1019622-03-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1019622-03-7
Multi CAS
No
Molecular Formula
C13H16FNO
Molecular Weight
221.270000
Exact Mass
221.121592
SMILES
CC(=O)C1=C(C=CC(=C1)F)N2CCCCC2
InChI
InChI=1S/C13H16FNO/c1-10(16)12-9-11(14)5-6-13(12)15-7-3-2-4-8-15/h5-6,9H,2-4,7-8H2,1H3
InChIKey
KKZIVOMTVXGYBG-UHFFFAOYSA-N
Synonyms
5'-Fluoro-2'-(1-piperidyl)acetophenone 1-(5-Fluoro-2-(piperidin-1-yl)phenyl)ethanone MFCD11136822 AC2709 AKOS000221072

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
62.47
TPSA
20.31

LogP / Solubility

WLOGP
3.02
MLOGP
2.66
XLogP3
2.7
Consensus LogP
2.79
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.55
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.84
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)
-1.93

Drug-likeness / Medicinal Chemistry

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

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