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CAS 1226860-75-8 Methylpiperidine-4-yl(tetrahydropyran-4-yl)aMine dihydrochloride molecular structure lightbox
CAS RN: 1226860-75-8

Methylpiperidine-4-yl(tetrahydropyran-4-yl)aMine dihydrochloride

  • Product code: SSC-025810
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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 1226860-75-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1226860-75-8 / N-methyl-N-(oxan-4-yl)piperidin-4-amine;dihydrochloride

Standard CAS: 1226860-75-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1226860-75-8
Multi CAS
No
Molecular Formula
C11H24Cl2N2O
Molecular Weight
271.220000
Exact Mass
270.126569
SMILES
CN(C1CCNCC1)C2CCOCC2.Cl.Cl
InChI
InChI=1S/C11H22N2O.2ClH/c1-13(10-2-6-12-7-3-10)11-4-8-14-9-5-11;;/h10-12H,2-9H2,1H3;2*1H
InChIKey
FHTVZBJNSTVBAV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
71.99
TPSA
24.5

LogP / Solubility

WLOGP
1.69
MLOGP
1.5
XLogP3
1.69
Consensus LogP
1.63
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.07
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.17

Drug-likeness / Medicinal Chemistry

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

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