![CAS 1019340-98-7 2-[4-(aminomethyl)piperidin-1-yl]-N-tert-butylacetamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1019340-98-7.gif)
CAS RN: 1019340-98-7
2-[4-(aminomethyl)piperidin-1-yl]-N-tert-butylacetamide
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260626 | 100mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1019340-98-7
- Purity/Analytical Methods: >99.0%
1019340-98-7 / 2-[4-(aminomethyl)piperidin-1-yl]-N-tert-butylacetamide
2-[4-(aminomethyl)piperidin-1-yl]-N-tert-butylacetamide | MFCD11131481 | 2-(4-(aminomethyl)piperidin-1-yl)-n-(tert-butyl)acetamide
Basic Information
CAS
1019340-98-7
Multi CAS
No
Molecular Formula
C12H25N3O
Molecular Weight
227.350000
Exact Mass
227.199762
SMILES
CC(C)(C)NC(=O)CN1CCC(CC1)CN
InChI
InChI=1S/C12H25N3O/c1-12(2,3)14-11(16)9-15-6-4-10(8-13)5-7-15/h10H,4-9,13H2,1-3H3,(H,14,16)
InChIKey
HLSDBOMELIRZRY-UHFFFAOYSA-N
Synonyms
2-[4-(aminomethyl)piperidin-1-yl]-N-tert-butylacetamide
MFCD11131481
2-(4-(aminomethyl)piperidin-1-yl)-n-(tert-butyl)acetamide
SCHEMBL18838442
UQB34098
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
66.11
TPSA
58.36
LogP / Solubility
WLOGP
0.57
MLOGP
0.51
XLogP3
0.4
Consensus LogP
0.49
Log S (ESOL)
-1.41
Class (ESOL)
Soluble
Log S (Ali)
-1.84
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.97
Class (SILICOS-IT)
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)
-3.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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