CAS RN: 885677-91-8
“(1R,2R)-trans-2-(1-Piperidinyl)cyclohexylaMine”
Product Availability
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3 package records0 with current stock2 grade groups
- Product code: starshine_CAS885677-91-8
- Purity/Analytical Methods: >99.0%
885677-91-8 / trans-(1R,2R)-2-piperidin-1-ylcyclohexan-1-amine
Basic Information
CAS
885677-91-8
Multi CAS
Yes
Molecular Formula
C11H22N2
Molecular Weight
182.310000
Exact Mass
182.178299
InChI
InChI=1S/C11H22N2/c12-10-6-2-3-7-11(10)13-8-4-1-5-9-13/h10-11H,1-9,12H2/t10-,11-/m1/s1
InChIKey
QHFKXCGYRHKLNG-GHMZBOCLSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
55.66
TPSA
29.26
LogP / Solubility
WLOGP
1.74
MLOGP
1.53
XLogP3
1.5
Consensus LogP
1.59
Log S (ESOL)
-2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.41
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)
-2.6
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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