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CAS 401581-34-8 1-(4-METHYL-BENZOYL)-PIPERIDINE-4-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 401581-34-8

1-(4-METHYL-BENZOYL)-PIPERIDINE-4-CARBOXYLIC ACID

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260623 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS401581-34-8
  • Purity/Analytical Methods: >99.0%
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401581-34-8 / 1-(4-methylbenzoyl)piperidine-4-carboxylic acid

Standard CAS: 401581-34-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
401581-34-8
Multi CAS
No
Molecular Formula
C14H17NO3
Molecular Weight
247.290000
Exact Mass
247.120843
InChI
InChI=1S/C14H17NO3/c1-10-2-4-11(5-3-10)13(16)15-8-6-12(7-9-15)14(17)18/h2-5,12H,6-9H2,1H3,(H,17,18)
InChIKey
LTSJOPHCIJQZGZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
67.44
TPSA
57.61

LogP / Solubility

WLOGP
1.93
MLOGP
1.71
XLogP3
1.8
Consensus LogP
1.81
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.11
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)
-2.86

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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