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CAS 256951-80-1 4-(4-FLUOROPHENYL)PIPERIDINE-4-CARBONITRILE HCL molecular structure lightbox
CAS RN: 256951-80-1

4-(4-FLUOROPHENYL)PIPERIDINE-4-CARBONITRILE HCL

  • Product code: SSC-122132
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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: 0.05g, 0.1g, 0.25g, 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 256951-80-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g ≥95% 0 Out of Stock Shenzhen Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

256951-80-1 / 4-(4-fluorophenyl)piperidine-4-carbonitrile;hydrochloride

Standard CAS: 256951-80-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
256951-80-1
Multi CAS
No
Molecular Formula
C12H14ClFN2
Molecular Weight
240.700000
Exact Mass
240.082954
SMILES
C1CNCCC1(C#N)C2=CC=C(C=C2)F.Cl
InChI
InChI=1S/C12H13FN2.ClH/c13-11-3-1-10(2-4-11)12(9-14)5-7-15-8-6-12;/h1-4,15H,5-8H2;1H
InChIKey
ZUWLTGSYSRYOBA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
63.04
TPSA
35.82

LogP / Solubility

WLOGP
2.39
MLOGP
2.11
XLogP3
2.39
Consensus LogP
2.3
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.26
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.33
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)
-2.49

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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