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CAS 1004618-89-6 4-(3,5-DIFLUOROPHENYL)PIPERIDINE HCL molecular structure lightbox
CAS RN: 1004618-89-6

4-(3,5-DIFLUOROPHENYL)PIPERIDINE HCL

  • Product code: SSC-001037
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1004618-89-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Beijing Inquiry
0.25g >97% 1 In Stock Beijing Inquiry
1g >97% 1 In Stock Shenzhen Inquiry
5g >97% 0 Out of Stock Shanghai Inquiry

1004618-89-6 / 4-(3,5-difluorophenyl)piperidine;hydrochloride

4-(3,5-Difluorophenyl)Piperidine Hydrochloride | MFCD08436156 | 4-(3,5-DIFLUOROPHENYL)PIPERIDINE HCL

Standard CAS: 1004618-89-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1004618-89-6
Multi CAS
No
Molecular Formula
C11H14ClF2N
Molecular Weight
233.680000
Exact Mass
233.078284
SMILES
C1CNCCC1C2=CC(=CC(=C2)F)F.Cl
InChI
InChI=1S/C11H13F2N.ClH/c12-10-5-9(6-11(13)7-10)8-1-3-14-4-2-8;/h5-8,14H,1-4H2;1H
InChIKey
PHJMPFBDUAVODB-UHFFFAOYSA-N
Synonyms
4-(3,5-Difluorophenyl)Piperidine Hydrochloride MFCD08436156 4-(3,5-DIFLUOROPHENYL)PIPERIDINE HCL 4-(3,5-difluorophenyl)piperidinehydrochloride 4-(3,5-difluorophenyl)piperidine;hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
58.45
TPSA
12.03

LogP / Solubility

WLOGP
2.85
MLOGP
2.52
XLogP3
2.85
Consensus LogP
2.74
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.67
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)
-2.12

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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