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CAS 783368-13-8 1-benzyl-4-(2-chloroquinolin-3-yl)piperidin-4-ol molecular structure lightbox
CAS RN: 783368-13-8

1-benzyl-4-(2-chloroquinolin-3-yl)piperidin-4-ol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260312 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS783368-13-8
  • Purity/Analytical Methods: >99.0%
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783368-13-8 / 1-benzyl-4-(2-chloroquinolin-3-yl)piperidin-4-ol

Standard CAS: 783368-13-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
783368-13-8
Multi CAS
No
Molecular Formula
C21H21CLN2O
Molecular Weight
352.900000
Exact Mass
352.134241
InChI
InChI=1S/C21H21ClN2O/c22-20-18(14-17-8-4-5-9-19(17)23-20)21(25)10-12-24(13-11-21)15-16-6-2-1-3-7-16/h1-9,14,25H,10-13,15H2
InChIKey
ACOQCRWPQYUNSU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
16
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
101.6
TPSA
36.36

LogP / Solubility

WLOGP
4.37
MLOGP
3.87
XLogP3
4.1
Consensus LogP
4.11
Log S (ESOL)
-5.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.61
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.94
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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