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CAS 1106940-94-6 3-(4-FLUOROPHENYL) PIPERIDINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 1106940-94-6

3-(4-FLUOROPHENYL) PIPERIDINE HYDROCHLORIDE

  • Product code: SSC-011662
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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 1106940-94-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1106940-94-6 / 3-(4-fluorophenyl)piperidine;hydrochloride

3-(4-Fluorophenyl)piperidine hydrochloride | MFCD02178931 | 3-(4-fluorophenyl)piperidine;hydrochloride

Standard CAS: 1106940-94-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1106940-94-6
Multi CAS
Yes
Molecular Formula
C11H15ClFN
Molecular Weight
215.690000
Exact Mass
215.087705
SMILES
C1CC(CNC1)C2=CC=C(C=C2)F.Cl
InChI
InChI=1S/C11H14FN.ClH/c12-11-5-3-9(4-6-11)10-2-1-7-13-8-10;/h3-6,10,13H,1-2,7-8H2;1H
InChIKey
DGGGTQAVNWSYAD-UHFFFAOYSA-N
Synonyms
3-(4-Fluorophenyl)piperidine hydrochloride MFCD02178931 3-(4-fluorophenyl)piperidine;hydrochloride 3-(4-FLUOROPHENYL) PIPERIDINE HYDROCHLORIDE 3-(4-fluorophenyl)piperidine HCl

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
58.49
TPSA
12.03

LogP / Solubility

WLOGP
2.71
MLOGP
2.39
XLogP3
2.71
Consensus LogP
2.6
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.44
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)
-2.11

Drug-likeness / Medicinal Chemistry

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

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