![CAS 1146080-55-8 3-[4-(Piperidine-1-carbonyl)-phenoxyMethyl]-piperidine-1-carboxylic acid tert-butyl ester, 98+% C23H34N2O4, MW: 402.54 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1146080-55-8.gif)
CAS RN: 1146080-55-8
3-[4-(Piperidine-1-carbonyl)-phenoxyMethyl]-piperidine-1-carboxylic acid tert-butyl ester, 98+% C23H34N2O4, MW: 402.54
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250202 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1146080-55-8
- Purity/Analytical Methods: >99.0%
1146080-55-8 / tert-butyl 3-[[4-(piperidine-1-carbonyl)phenoxy]methyl]piperidine-1-carboxylate
tert-butyl 3-[[4-(piperidine-1-carbonyl)phenoxy]methyl]piperidine-1-carboxylate | DTXSID00671370 | tert-Butyl 3-((4-(piperidine-1-carbonyl)phenoxy)methyl)piperidine-1-carboxylate
Basic Information
CAS
1146080-55-8
Multi CAS
No
Molecular Formula
C23H34N2O4
Molecular Weight
402.500000
Exact Mass
402.251858
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)COC2=CC=C(C=C2)C(=O)N3CCCCC3
InChI
InChI=1S/C23H34N2O4/c1-23(2,3)29-22(27)25-15-7-8-18(16-25)17-28-20-11-9-19(10-12-20)21(26)24-13-5-4-6-14-24/h9-12,18H,4-8,13-17H2,1-3H3
InChIKey
BBQKMEHKTRAOMQ-UHFFFAOYSA-N
Synonyms
tert-butyl 3-[[4-(piperidine-1-carbonyl)phenoxy]methyl]piperidine-1-carboxylate
DTXSID00671370
tert-Butyl 3-((4-(piperidine-1-carbonyl)phenoxy)methyl)piperidine-1-carboxylate
tert-Butyl 3-{[4-(piperidine-1-carbonyl)phenoxy]methyl}piperidine-1-carboxylate
RefChem:1099521
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
6
Fraction Csp3
0.65
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
112.22
TPSA
59.08
LogP / Solubility
WLOGP
4.34
MLOGP
3.84
XLogP3
3.8
Consensus LogP
3.99
Log S (ESOL)
-4.96
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.99
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.36
Class (SILICOS-IT)
Insoluble
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)
-2.1
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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