![CAS 1146079-98-2 4-[2-(Piperidine-1-carbonyl)-phenoxy]-piperidine-1-carboxylic acid tert-butyl ester, 98+% C22H32N2O4, MW: 388.51 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1146079-98-2.gif)
CAS RN: 1146079-98-2
4-[2-(Piperidine-1-carbonyl)-phenoxy]-piperidine-1-carboxylic acid tert-butyl ester, 98+% C22H32N2O4, MW: 388.51
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260117 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1146079-98-2
- Purity/Analytical Methods: >99.0%
1146079-98-2 / tert-butyl 4-[2-(piperidine-1-carbonyl)phenoxy]piperidine-1-carboxylate
4-[2-(Piperidine-1-carbonyl)-phenoxy]-piperidine-1-carboxylic acid tert-butyl ester | tert-Butyl 4-(2-(piperidine-1-carbonyl)phenoxy)piperidine-1-carboxylate | tert-butyl 4-[2-(piperidine-1-carbonyl)phenoxy]piperidine-1-carboxylate
Basic Information
CAS
1146079-98-2
Multi CAS
No
Molecular Formula
C22H32N2O4
Molecular Weight
388.500000
Exact Mass
388.236208
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC=CC=C2C(=O)N3CCCCC3
InChI
InChI=1S/C22H32N2O4/c1-22(2,3)28-21(26)24-15-11-17(12-16-24)27-19-10-6-5-9-18(19)20(25)23-13-7-4-8-14-23/h5-6,9-10,17H,4,7-8,11-16H2,1-3H3
InChIKey
LNJRJRMSJWSWSJ-UHFFFAOYSA-N
Synonyms
4-[2-(Piperidine-1-carbonyl)-phenoxy]-piperidine-1-carboxylic acid tert-butyl ester
tert-Butyl 4-(2-(piperidine-1-carbonyl)phenoxy)piperidine-1-carboxylate
tert-butyl 4-[2-(piperidine-1-carbonyl)phenoxy]piperidine-1-carboxylate
DTXSID60671356
SBB074700
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
6
Fraction Csp3
0.64
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
107.65
TPSA
59.08
LogP / Solubility
WLOGP
4.09
MLOGP
3.62
XLogP3
3.6
Consensus LogP
3.77
Log S (ESOL)
-4.79
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.7
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.94
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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