![CAS 1146080-06-9 3-[4-(Morpholine-4-carbonyl)-phenoxy]-piperidine-1-carboxylic acid tert-butyl ester, 98+% C21H30N2O5, MW: 390.48 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1146080-06-9.gif)
CAS RN: 1146080-06-9
3-[4-(Morpholine-4-carbonyl)-phenoxy]-piperidine-1-carboxylic acid tert-butyl ester, 98+% C21H30N2O5, MW: 390.48
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260324 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1146080-06-9
- Purity/Analytical Methods: >99.0%
1146080-06-9 / tert-butyl 3-[4-(morpholine-4-carbonyl)phenoxy]piperidine-1-carboxylate
3-[4-(Morpholine-4-carbonyl)-phenoxy]-piperidine-1-carboxylic acid tert-butyl ester | tert-butyl 3-[4-(morpholine-4-carbonyl)phenoxy]piperidine-1-carboxylate | tert-Butyl 3-(4-(morpholine-4-carbonyl)phenoxy)piperidine-1-carboxylate
Basic Information
CAS
1146080-06-9
Multi CAS
No
Molecular Formula
C21H30N2O5
Molecular Weight
390.500000
Exact Mass
390.215472
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)OC2=CC=C(C=C2)C(=O)N3CCOCC3
InChI
InChI=1S/C21H30N2O5/c1-21(2,3)28-20(25)23-10-4-5-18(15-23)27-17-8-6-16(7-9-17)19(24)22-11-13-26-14-12-22/h6-9,18H,4-5,10-15H2,1-3H3
InChIKey
QLBNYISLIGWRAO-UHFFFAOYSA-N
Synonyms
3-[4-(Morpholine-4-carbonyl)-phenoxy]-piperidine-1-carboxylic acid tert-butyl ester
tert-butyl 3-[4-(morpholine-4-carbonyl)phenoxy]piperidine-1-carboxylate
tert-Butyl 3-(4-(morpholine-4-carbonyl)phenoxy)piperidine-1-carboxylate
DTXSID40671359
SBB074703
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
104.62
TPSA
68.31
LogP / Solubility
WLOGP
2.94
MLOGP
2.61
XLogP3
2.4
Consensus LogP
2.65
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.88
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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