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CAS 1630907-16-2 4-(DifluoroMethoxy)piperidine hydrochloride molecular structure lightbox
CAS RN: 1630907-16-2

4-(DifluoroMethoxy)piperidine hydrochloride

  • Product code: SSC-070775
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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: 0.25g
  • 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 1630907-16-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

1630907-16-2 / 4-(difluoromethoxy)piperidine;hydrochloride

Standard CAS: 1630907-16-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1630907-16-2
Multi CAS
No
Molecular Formula
C6H12ClF2NO
Molecular Weight
187.610000
Exact Mass
187.057548
SMILES
C1CNCCC1OC(F)F.Cl
InChI
InChI=1S/C6H11F2NO.ClH/c7-6(8)10-5-1-3-9-4-2-5;/h5-6,9H,1-4H2;1H
InChIKey
OELQMMRGXWRCRJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
40.23
TPSA
21.26

LogP / Solubility

WLOGP
1.4
MLOGP
1.23
XLogP3
1.4
Consensus LogP
1.34
Log S (ESOL)
-1.75
Class (ESOL)
Soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
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)
-2.87

Drug-likeness / Medicinal Chemistry

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

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