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CAS 1093759-69-3 3-DifluoroMethylpiperidine HCl molecular structure lightbox
CAS RN: 1093759-69-3

3-DifluoroMethylpiperidine HCl

  • Product code: SSC-010651
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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 1093759-69-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

1093759-69-3 / 3-(difluoromethyl)piperidine;hydrochloride

3-(difluoromethyl)piperidine | (3R)-3-(difluoromethyl)piperidine | (3S)-3-(difluoromethyl)piperidine

Standard CAS: 1093759-69-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1093759-69-3
Multi CAS
Yes
Molecular Formula
C6H12ClF2N
Molecular Weight
171.610000
Exact Mass
171.062633
SMILES
C1CC(CNC1)C(F)F.Cl
InChI
InChI=1S/C6H11F2N.ClH/c7-6(8)5-2-1-3-9-4-5;/h5-6,9H,1-4H2;1H
InChIKey
DCSDOLONHQYNBB-UHFFFAOYSA-N
Synonyms
3-(difluoromethyl)piperidine (3R)-3-(difluoromethyl)piperidine (3S)-3-(difluoromethyl)piperidine 3-difluoromethylpiperidine SCHEMBL20900389

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
38.85
TPSA
12.03

LogP / Solubility

WLOGP
1.67
MLOGP
1.47
XLogP3
1.67
Consensus LogP
1.6
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-2.18
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)
-2.58

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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