CAS RN: 2409589-97-3
(2R,4R)-(2-Methyl-piperidin-4-yl)-carbamic acid benzyl ester
Product Availability
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4 package records0 with current stock1 grade group
- Product code: starshine_CAS2409589-97-3
- Purity/Analytical Methods: >99.0%
2409589-97-3 / benzyl N-(2-methylpiperidin-4-yl)carbamate
Basic Information
CAS
2409589-97-3
Multi CAS
Yes
Molecular Formula
C14H20N2O2
Molecular Weight
248.320000
Exact Mass
248.152478
InChI
InChI=1S/C14H20N2O2/c1-11-9-13(7-8-15-11)16-14(17)18-10-12-5-3-2-4-6-12/h2-6,11,13,15H,7-10H2,1H3,(H,16,17)/t11-,13-/m1/s1
InChIKey
KLFYFYJXRLTUNU-DGCLKSJQSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
70.25
TPSA
50.36
LogP / Solubility
WLOGP
2.05
MLOGP
1.81
XLogP3
2
Consensus LogP
1.95
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.34
Class (SILICOS-IT)
Poorly 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)
-2.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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