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CAS 865074-93-7 1-(4-ChloroMethyl-piperidin-1-yl)-ethanone molecular structure lightbox
CAS RN: 865074-93-7

1-(4-ChloroMethyl-piperidin-1-yl)-ethanone

  • Product code: SSC-195631
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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 865074-93-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

865074-93-7 / 1-[4-(chloromethyl)piperidin-1-yl]ethanone

Standard CAS: 865074-93-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
865074-93-7
Multi CAS
No
Molecular Formula
C8H14CLNO
Molecular Weight
175.650000
Exact Mass
175.076392
InChI
InChI=1S/C8H14ClNO/c1-7(11)10-4-2-8(6-9)3-5-10/h8H,2-6H2,1H3
InChIKey
CZNHRKWYMLUPQC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
45.7
TPSA
20.31

LogP / Solubility

WLOGP
1.48
MLOGP
1.3
XLogP3
1.1
Consensus LogP
1.29
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-2.07
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.15
Class (SILICOS-IT)
Moderately 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)
-2.74

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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