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CAS 501378-38-7 6-piperidin-1-ylnicotinonitrile molecular structure lightbox
CAS RN: 501378-38-7

6-piperidin-1-ylnicotinonitrile

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250812 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS501378-38-7
  • Purity/Analytical Methods: >99.0%
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501378-38-7 / 6-piperidin-1-ylpyridine-3-carbonitrile

Standard CAS: 501378-38-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
501378-38-7
Multi CAS
No
Molecular Formula
C11H13N3
Molecular Weight
187.240000
Exact Mass
187.110947
InChI
InChI=1S/C11H13N3/c12-8-10-4-5-11(13-9-10)14-6-2-1-3-7-14/h4-5,9H,1-3,6-7H2
InChIKey
FOETXRQFXRLQGP-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
3
Molar refractivity
55.02
TPSA
39.92

LogP / Solubility

WLOGP
1.94
MLOGP
1.71
XLogP3
1.9
Consensus LogP
1.85
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.61
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)
-2.48

Drug-likeness / Medicinal Chemistry

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

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