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CAS 42837-37-6 (4-Aminophenyl)piperidin-1-ylmethanone molecular structure lightbox
CAS RN: 42837-37-6

(4-Aminophenyl)piperidin-1-ylmethanone

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250830 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Guangdong Inquiry
  • Product code: starshine_CAS42837-37-6
  • Purity/Analytical Methods: >99.0%
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42837-37-6 / (4-aminophenyl)-piperidin-1-ylmethanone

Standard CAS: 42837-37-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
42837-37-6
Multi CAS
Yes
Molecular Formula
C12H16N2O
Molecular Weight
204.270000
Exact Mass
204.126263
InChI
InChI=1S/C12H16N2O/c13-11-6-4-10(5-7-11)12(15)14-8-2-1-3-9-14/h4-7H,1-3,8-9,13H2
InChIKey
FQEGZNLIOFLYNI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
60.61
TPSA
46.33

LogP / Solubility

WLOGP
1.89
MLOGP
1.67
XLogP3
1.5
Consensus LogP
1.69
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
Class (SILICOS-IT)
Moderately 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)
-2.62

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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