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CAS 16078-25-4 (R)-(-)-3-METHYLPIPERIDINE molecular structure lightbox
CAS RN: 16078-25-4

(R)-(-)-3-METHYLPIPERIDINE

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251221 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS16078-25-4
  • Purity/Analytical Methods: >99.0%
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16078-25-4 / (3R)-3-methylpiperidine

Standard CAS: 16078-25-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
16078-25-4
Multi CAS
No
Molecular Formula
C6H13N
Molecular Weight
99.170000
Exact Mass
99.104799
SMILES
C[C@@H]1CCCNC1
InChI
InChI=1S/C6H13N/c1-6-3-2-4-7-5-6/h6-7H,2-5H2,1H3/t6-/m1/s1
InChIKey
JEGMWWXJUXDNJN-ZCFIWIBFSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
31.27
TPSA
12.03

LogP / Solubility

WLOGP
1.01
MLOGP
0.87
XLogP3
1.1
Consensus LogP
0.99
Log S (ESOL)
-1.09
Class (ESOL)
Soluble
Log S (Ali)
-1.1
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.14
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)
-2.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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