![CAS 1065484-37-8 4-[(6-BroMo-pyridin-2-ylaMino)-Methyl]-piperidine-1-carboxylic acid tert-butyl ester, 98+% C16H24BrN3O2, MW: 370.29 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1065484-37-8.gif)
CAS RN: 1065484-37-8
4-[(6-BroMo-pyridin-2-ylaMino)-Methyl]-piperidine-1-carboxylic acid tert-butyl ester, 98+% C16H24BrN3O2, MW: 370.29
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250610 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1065484-37-8
- Purity/Analytical Methods: >99.0%
1065484-37-8 / tert-butyl 4-[[(6-bromo-2-pyridinyl)amino]methyl]piperidine-1-carboxylate
4-[(6-Bromo-pyridin-2-ylamino)-methyl]-piperidine-1-carboxylic acid tert-butyl ester | tert-Butyl 4-(((6-bromopyridin-2-yl)amino)methyl)piperidine-1-carboxylate | tert-butyl 4-[[(6-bromopyridin-2-yl)amino]methyl]piperidine-1-carboxylate
Basic Information
CAS
1065484-37-8
Multi CAS
No
Molecular Formula
C16H24BrN3O2
Molecular Weight
370.280000
Exact Mass
369.105190
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)CNC2=NC(=CC=C2)Br
InChI
InChI=1S/C16H24BrN3O2/c1-16(2,3)22-15(21)20-9-7-12(8-10-20)11-18-14-6-4-5-13(17)19-14/h4-6,12H,7-11H2,1-3H3,(H,18,19)
InChIKey
BFDJDFMKFRTORA-UHFFFAOYSA-N
Synonyms
4-[(6-Bromo-pyridin-2-ylamino)-methyl]-piperidine-1-carboxylic acid tert-butyl ester
tert-Butyl 4-(((6-bromopyridin-2-yl)amino)methyl)piperidine-1-carboxylate
tert-butyl 4-[[(6-bromopyridin-2-yl)amino]methyl]piperidine-1-carboxylate
tert-Butyl 4-{[(6-bromopyridin-2-yl)amino]methyl}piperidine-1-carboxylate
DTXSID20671534
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
90.96
TPSA
54.46
LogP / Solubility
WLOGP
3.9
MLOGP
3.46
XLogP3
3.8
Consensus LogP
3.72
Log S (ESOL)
-4.6
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.67
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)
-2.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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