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CAS 690632-27-0 (4-METHYLPIPERIDINO)(4-PIPERIDINYL)METHANONE HYDROCHLORIDE molecular structure lightbox
CAS RN: 690632-27-0

(4-METHYLPIPERIDINO)(4-PIPERIDINYL)METHANONE HYDROCHLORIDE

  • Product code: SSC-178697
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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 690632-27-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

690632-27-0 / (4-methylpiperidin-1-yl)-piperidin-4-ylmethanone;hydrochloride

Standard CAS: 690632-27-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
690632-27-0
Multi CAS
Yes
Molecular Formula
C12H23CLN2O
Molecular Weight
246.780000
Exact Mass
246.149891
InChI
InChI=1S/C12H22N2O.ClH/c1-10-4-8-14(9-5-10)12(15)11-2-6-13-7-3-11;/h10-11,13H,2-9H2,1H3;1H
InChIKey
MOSFGVQANDSOFT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.92
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
67.82
TPSA
32.34

LogP / Solubility

WLOGP
1.67
MLOGP
1.47
XLogP3
1.67
Consensus LogP
1.6
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.79
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.77
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)
-3.04

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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