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CAS 196614-16-1 4-METHYL-4-PIPERIDINEAMINE molecular structure lightbox
CAS RN: 196614-16-1

4-METHYL-4-PIPERIDINEAMINE

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250515 100mg In stock Shanghai Inquiry
Batchno.20250627 1g In stock Shanghai Inquiry
Batchno.20251130 250mg In stock Shanghai Inquiry
Batchno.20250715 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS196614-16-1
  • Purity/Analytical Methods: >99.0%
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196614-16-1 / 4-methylpiperidin-4-amine

Standard CAS: 196614-16-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
196614-16-1
Multi CAS
No
Molecular Formula
C6H14N2
Molecular Weight
114.190000
Exact Mass
114.115698
SMILES
CC1(CCNCC1)N
InChI
InChI=1S/C6H14N2/c1-6(7)2-4-8-5-3-6/h8H,2-5,7H2,1H3
InChIKey
RZOQTVTZVPADOP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
34.7
TPSA
38.05

LogP / Solubility

WLOGP
0.09
MLOGP
0.07
XLogP3
-0.4
Consensus LogP
-0.08
Log S (ESOL)
-0.6
Class (ESOL)
Very soluble
Log S (Ali)
-0.56
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.47
Class (SILICOS-IT)
Very 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)
-3.35

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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