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CAS 263139-27-1 4-Piperidin-4-ylphenol, HCl molecular structure lightbox
CAS RN: 263139-27-1

4-Piperidin-4-ylphenol, HCl

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Batchno.20250809 1g In stock Shanghai Inquiry
  • Product code: starshine_CAS263139-27-1
  • Purity/Analytical Methods: >99.0%
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263139-27-1 / 4-piperidin-4-ylphenol;hydrochloride

Standard CAS: 263139-27-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
263139-27-1
Multi CAS
No
Molecular Formula
C11H16ClNO
Molecular Weight
213.700000
Exact Mass
213.092042
SMILES
C1CNCCC1C2=CC=C(C=C2)O.Cl
InChI
InChI=1S/C11H15NO.ClH/c13-11-3-1-9(2-4-11)10-5-7-12-8-6-10;/h1-4,10,12-13H,5-8H2;1H
InChIKey
DGUWALWRCOPUBK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
60.2
TPSA
32.26

LogP / Solubility

WLOGP
2.28
MLOGP
2.01
XLogP3
2.28
Consensus LogP
2.19
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.06
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)
-2.4

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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