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CAS 745817-38-3 3-(4-FLUOROBENZYL)-PIPERIDINE HCL molecular structure lightbox
CAS RN: 745817-38-3

3-(4-FLUOROBENZYL)-PIPERIDINE HCL

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260203 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS745817-38-3
  • Purity/Analytical Methods: >99.0%
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745817-38-3 / 3-[(4-fluorophenyl)methyl]piperidine;hydrochloride

Standard CAS: 745817-38-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
745817-38-3
Multi CAS
No
Molecular Formula
C12H17CLFN
Molecular Weight
229.720000
Exact Mass
229.103355
InChI
InChI=1S/C12H16FN.ClH/c13-12-5-3-10(4-6-12)8-11-2-1-7-14-9-11;/h3-6,11,14H,1-2,7-9H2;1H
InChIKey
MVDNGUDOVPBOPT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
62.95
TPSA
12.03

LogP / Solubility

WLOGP
2.79
MLOGP
2.46
XLogP3
2.79
Consensus LogP
2.68
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.46
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.71
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)
-2.14

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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