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CAS 504-03-0 2,6-Dimethylpiperidine molecular structure lightbox
CAS RN: 504-03-0

2,6-Dimethylpiperidine

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Batch No.PackageAvailabilityInquiry
Batchno.20250131 1ml In stock Inquiry
  • Product code: starshine_CAS504-03-0
  • Purity/Analytical Methods: >99.0%
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504-03-0 / 2,6-dimethylpiperidine

Standard CAS: 504-03-0 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
504-03-0
Multi CAS
Yes
Molecular Formula
C7H15N
Molecular Weight
113.200000
Exact Mass
113.120449
InChI
InChI=1S/C7H15N/c1-6-4-3-5-7(2)8-6/h6-8H,3-5H2,1-2H3
InChIKey
SDGKUVSVPIIUCF-UHFFFAOYSA-N

Physical Properties

Physical Description
Light yellow liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
35.91
TPSA
12.03

LogP / Solubility

WLOGP
1.54
MLOGP
1.34
XLogP3
1.5
Consensus LogP
1.46
Log S (ESOL)
-1.51
Class (ESOL)
Soluble
Log S (Ali)
-1.6
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.67
Class (SILICOS-IT)
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)
-2.32

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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