CAS RN: 1821791-75-6
tert-butyl (R)-(2-(piperidin-2-yl)ethyl)carbamate
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251016 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1821791-75-6
- Purity/Analytical Methods: >99.0%
1821791-75-6 / tert-butyl N-[2-[(2R)-piperidin-2-yl]ethyl]carbamate
Basic Information
CAS
1821791-75-6
Multi CAS
No
Molecular Formula
C12H24N2O2
Molecular Weight
228.330000
Exact Mass
228.183778
SMILES
CC(C)(C)OC(=O)NCC[C@H]1CCCCN1
InChI
InChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)14-9-7-10-6-4-5-8-13-10/h10,13H,4-9H2,1-3H3,(H,14,15)/t10-/m1/s1
InChIKey
FEPKUDZBAUTEMY-SNVBAGLBSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.92
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
64.5
TPSA
50.36
LogP / Solubility
WLOGP
2.04
MLOGP
1.8
XLogP3
1.8
Consensus LogP
1.88
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.91
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.2
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)
-2.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364
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