CAS RN: 36177-86-3
N,N,1,2,2,6,6-Heptamethyl-4-piperidinamine
Product Availability
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4 package records3 with current stock2 grade groups
- Product code: starshine_CAS36177-86-3
- Purity/Analytical Methods: >99.0%
36177-86-3 / N,N,1,2,2,6,6-heptamethylpiperidin-4-amine
Basic Information
CAS
36177-86-3
Multi CAS
No
Molecular Formula
C12H26N2
Molecular Weight
198.350000
Exact Mass
198.209599
InChI
InChI=1S/C12H26N2/c1-11(2)8-10(13(5)6)9-12(3,4)14(11)7/h10H,8-9H2,1-7H3
InChIKey
VEBFUHQIQCLTJD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
62.63
TPSA
6.48
LogP / Solubility
WLOGP
2.2
MLOGP
1.94
XLogP3
2.1
Consensus LogP
2.08
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
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)
-2.37
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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