CAS RN: 4711-11-9

6-(Piperidin-1-yl)hexanoic acid

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Batchno.20260304 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS4711-11-9
  • Purity/Analytical Methods: >99.0%
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4711-11-9 / 6-piperidin-1-ylhexanoic acid

Standard CAS: 4711-11-9 Multi CAS: No

Basic Information

CAS
4711-11-9
Multi CAS
No
Molecular Formula
C11H21NO2
Molecular Weight
199.290000
Exact Mass
199.157229
InChI
InChI=1S/C11H21NO2/c13-11(14)7-3-1-4-8-12-9-5-2-6-10-12/h1-10H2,(H,13,14)
InChIKey
LDZAHSDPMWUVET-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.91
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
56.39
TPSA
40.54

LogP / Solubility

WLOGP
2.12
MLOGP
1.86
XLogP3
-0.6
Consensus LogP
1.13
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.43
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)
-2.43

Drug-likeness / Medicinal Chemistry

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

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