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CAS 86810-95-9 4-[(4-Chlorobenzyl)oxy]piperidine hydrochloride molecular structure lightbox
CAS RN: 86810-95-9

4-[(4-Chlorobenzyl)oxy]piperidine hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260327 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS86810-95-9
  • Purity/Analytical Methods: >99.0%
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86810-95-9 / 4-[(4-chlorophenyl)methoxy]piperidine;hydrochloride

Standard CAS: 86810-95-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
86810-95-9
Multi CAS
No
Molecular Formula
C12H17CL2NO
Molecular Weight
262.170000
Exact Mass
261.068720
InChI
InChI=1S/C12H16ClNO.ClH/c13-11-3-1-10(2-4-11)9-15-12-5-7-14-8-6-12;/h1-4,12,14H,5-9H2;1H
InChIKey
JQAHEIJKXBNEMC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
69.38
TPSA
21.26

LogP / Solubility

WLOGP
3.03
MLOGP
2.67
XLogP3
3.03
Consensus LogP
2.91
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.9
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.24
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.17

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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