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CAS 213480-97-8 4-Piperidinol, 4-(4-broMophenyl)-, hydrochloride (1:1) molecular structure lightbox
CAS RN: 213480-97-8

4-Piperidinol, 4-(4-broMophenyl)-, hydrochloride (1:1)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250523 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS213480-97-8
  • Purity/Analytical Methods: >99.0%
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213480-97-8 / 4-(4-bromophenyl)piperidin-4-ol;hydrochloride

Standard CAS: 213480-97-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
213480-97-8
Multi CAS
No
Molecular Formula
C11H15BrClNO
Molecular Weight
292.600000
Exact Mass
291.002550
SMILES
C1CNCCC1(C2=CC=C(C=C2)Br)O.Cl
InChI
InChI=1S/C11H14BrNO.ClH/c12-10-3-1-9(2-4-10)11(14)5-7-13-8-6-11;/h1-4,13-14H,5-8H2;1H
InChIKey
DBZKQRKEZICYCJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
67.39
TPSA
32.26

LogP / Solubility

WLOGP
2.44
MLOGP
2.16
XLogP3
2.44
Consensus LogP
2.35
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.72
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.77

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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