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CAS 25519-80-6 4-BENZOYLPIPERIDINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 25519-80-6

4-BENZOYLPIPERIDINE HYDROCHLORIDE

  • Product code: SSC-121571
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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: ＞97%
  • 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 25519-80-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

25519-80-6 / phenyl(piperidin-4-yl)methanone;hydrochloride

Standard CAS: 25519-80-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
25519-80-6
Multi CAS
Yes
Molecular Formula
C12H16ClNO
Molecular Weight
225.710000
Exact Mass
225.092042
InChI
InChI=1S/C12H15NO.ClH/c14-12(10-4-2-1-3-5-10)11-6-8-13-9-7-11;/h1-5,11,13H,6-9H2;1H
InChIKey
NXYKIFZJQXOUJS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
63.61
TPSA
29.1

LogP / Solubility

WLOGP
2.29
MLOGP
2.02
XLogP3
2.29
Consensus LogP
2.2
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.27
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)
-2.47

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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