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CAS 36938-76-8 4-(4-CHLOROBENZYL)PIPERIDINE molecular structure lightbox
CAS RN: 36938-76-8

4-(4-CHLOROBENZYL)PIPERIDINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260114 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS36938-76-8
  • Purity/Analytical Methods: >99.0%
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36938-76-8 / 4-[(4-chlorophenyl)methyl]piperidine

Standard CAS: 36938-76-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
36938-76-8
Multi CAS
Yes
Molecular Formula
C12H16CLN
Molecular Weight
209.710000
Exact Mass
209.097127
InChI
InChI=1S/C12H16ClN/c13-12-3-1-10(2-4-12)9-11-5-7-14-8-6-11/h1-4,11,14H,5-9H2
InChIKey
VPESQEWIPDEGSY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
60.75
TPSA
12.03

LogP / Solubility

WLOGP
2.88
MLOGP
2.54
XLogP3
3.1
Consensus LogP
2.84
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.66
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)
-1.95

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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